Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Mercaptopurine Anhydrous. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.95 |
| ▸ | HPGD | P15428 | 4/20 | 0.95 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.95 |
| ▸ | HBB | P68871 | 3/20 | 0.95 |
| ▸ | TP53 | P04637 | 2/20 | 0.95 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.95 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.95 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.95 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.52 |
| ▸ | XDH | P47989 | 1/20 | 0.52 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.44 |
| ▸ | PRNP | P04156 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.38 |
| ▸ | PDE4A | P27815 | 3/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Mercaptopurine Anhydrous SCHEMBL1176622 | 0.98 | ALDH1A1 (1.00) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL19209580 | 0.95 | ALDH1A1 (0.95) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL12476114 | 0.77 | ALDH1A1 (0.62) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL4582542 | 0.74 | ALDH1A1 (0.57) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL1498067 | 0.74 | ALDH1A1 (0.57) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL5323979 | 0.74 | ALDH1A1 (0.57) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL14691260 | 0.72 | ALDH1A1 (0.54) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Thioguanine SCHEMBL31327802 | 0.69 | ALDH1A1 (1.00) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| SCHEMBL11135475 | 0.69 | ALDH1A1 (0.62) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Thioguanine SCHEMBL3702 | 0.69 | ALDH1A1 (1.00) | ALDH1A1HPGDSMN1; SMN2HBBTP53 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12344601-B2 | (cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles | CENTREXION THERAPEUTICS CORPORATION (US) | 2025-07-01 | — | — | US | disclosed |
| US-20240092769-A1 | (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES | ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT | 2024-03-21 | — | — | US | disclosed |
| US-11725004-B2 | (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles | CENTREXION THERAPEUTICS CORPORATION (US) | 2023-08-15 | — | — | US | disclosed |
| US-20220135554-A1 | NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES | ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT | 2022-05-05 | — | — | US | disclosed |
| US-11084810-B2 | (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles | CENTREXION THERAPEUTICS CORPORATION (US) | 2021-08-10 | — | — | US | disclosed |
| US-20200262830-A1 | NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES | ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT | 2020-08-20 | — | — | US | disclosed |
| US-10675268-B2 | Somatostatin receptor subtype 4 (SSTR4) agonists | CENTREXION THERAPEUTICS CORPORATION (US) | 2020-06-09 | — | — | US | disclosed |
| EP-3218372-B1 | MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2020-05-20 | — | — | EP | disclosed |
| US-10577336-B2 | Morpholine and 1,4-oxazepane amides as somatostatin receptor subtype 4 (SSTR4) agonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-03-03 | — | — | US | disclosed |
| US-10570125-B2 | (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles | CENTREXION THERAPEUTICS CORPORATION (US) | 2020-02-25 | — | — | US | disclosed |
| EP-2403852-A1 | 3H-IMIDAZO [4, 5 -C]PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS | Boehringer Ingelheim International GmbH (DE) | 2012-01-11 | — | — | EP | disclosed |
| US-20110263556-A1 | New Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-27 | — | — | US | disclosed |
| WO-2011048004-A1 | INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-04-28 | — | — | WO | disclosed |
| US-20100256188-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-10-07 | — | — | US | disclosed |
| WO-2010100249-A1 | 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-10 | — | — | WO | disclosed |
| US-20100009964-A1 | Compounds Which Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-01-14 | — | — | US | disclosed |
| US-20090275611-A1 | Compounds Which Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-11-05 | — | — | US | disclosed |
| EP-2007707-A1 | COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | Boehringer Ingelheim International GmbH (DE) | 2008-12-31 | — | — | EP | disclosed |
| WO-2008064054-A2 | COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-05-29 | — | — | WO | disclosed |
| WO-2007118041-A1 | COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-10-18 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100009964-A1 | Compounds Which Modulate The CB2 Receptor | CNR2, CNR1, OPRL1 | ALDH1A1 1695/4885HPGD 422/4885SMN1; SMN2 4091/4885 |
| US-20200262830-A1 | NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES | CNR1, CNR2, GPR18 | ALDH1A1 3033/4885HPGD 1333/4885SMN1; SMN2 3675/4885 |
| US-20110263556-A1 | New Compounds | PTGES, PTGER1, PTGS1 | ALDH1A1 228/4885HPGD 39/4885SMN1; SMN2 3540/4885 |
| US-11725004-B2 | (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles | CNR1, CNR2, GPR18 | ALDH1A1 2937/4885HPGD 1190/4885SMN1; SMN2 3414/4885 |
| US-20240092769-A1 | (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES | CNR1, CNR2, GPR18 | ALDH1A1 2937/4885HPGD 1190/4885SMN1; SMN2 3414/4885 |
| US-10570125-B2 | (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles | CNR1, CNR2, GPR18 | ALDH1A1 2937/4885HPGD 1190/4885SMN1; SMN2 3414/4885 |
| US-10577336-B2 | Morpholine and 1,4-oxazepane amides as somatostatin receptor subtype 4 (SSTR4) agonists | SSTR4, SSTR1, SSTR3 | ALDH1A1 2546/4885HPGD 2308/4885SMN1; SMN2 875/4885 |
| US-20090275611-A1 | Compounds Which Modulate The CB2 Receptor | CNR1, CNR2, OPRL1 | ALDH1A1 3085/4885HPGD 949/4885SMN1; SMN2 4494/4885 |
| US-11084810-B2 | (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles | CNR1, CNR2, GPR18 | ALDH1A1 2937/4885HPGD 1190/4885SMN1; SMN2 3414/4885 |
| US-10675268-B2 | Somatostatin receptor subtype 4 (SSTR4) agonists | SSTR4, SSTR3, SSTR1 | ALDH1A1 3117/4885HPGD 2195/4885SMN1; SMN2 1932/4885 |
| US-20220135554-A1 | NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES | CNR1, CNR2, GPR18 | ALDH1A1 3033/4885HPGD 1333/4885SMN1; SMN2 3675/4885 |
| US-20100256188-A1 | NEW COMPOUNDS | MTX1, LTB4R, RDX | ALDH1A1 1761/4885HPGD 2331/4885SMN1; SMN2 3747/4885 |
| US-12344601-B2 | (cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles | CNR1, CNR2, GPR18 | ALDH1A1 2937/4885HPGD 1190/4885SMN1; SMN2 3414/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.