Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PTP4A1 | Q93096 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31735349 | 1.00 | ALDH1A1 (0.44) | ALDH1A1TSHRCYP2C9MAPTKDM4E | |
| SCHEMBL4625275 | 0.81 | IDO1 (0.36) | ALDH1A1MAPT | |
| SCHEMBL7853980 | 0.79 | ALDH1A1 (0.47) | ALDH1A1TSHRCYP2C9MAPTKDM4E | |
| SCHEMBL7853979 | 0.79 | ALDH1A1 (0.47) | ALDH1A1TSHRCYP2C9MAPTKDM4E | |
| SCHEMBL16534921 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP2C9MAPTKDM4E | |
| SCHEMBL2592394 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP2C9MAPTKDM4E | |
| SCHEMBL4625344 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP2C9MAPTKDM4E | |
| SCHEMBL4625345 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP2C9MAPTKDM4E | |
| SCHEMBL28384074 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP2C9MAPTKDM4E | |
| SCHEMBL2592388 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP2C9MAPTKDM4E |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200247800-A1 | SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2020-08-06 | — | — | US | disclosed |
| EP-3619209-A1 | SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS | Glenmark Pharmaceuticals S.A. (CH) | 2020-03-11 | — | — | EP | disclosed |
| WO-2018203298-A1 | SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2018-11-08 | — | — | WO | disclosed |
| EP-2566866-A1 | 4 SUBSTITUTED PYRAZOLOPYRIMIDINES USEFUL AS PKC-THETA INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2013-03-13 | — | — | EP | disclosed |
| US-20120172379-A1 | 4 SUBSTITUTED PYRAZOLOPYRIMIDINES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-05 | — | — | US | disclosed |
| WO-2011139273-A1 | 4 SUBSTITUTED PYRAZOLOPYRIMIDINES USEFUL AS PKC-THETA INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-10 | — | — | WO | disclosed |
| EP-1067121-B1 | 5-Aminopyrazole-4-carboxylate derivative and process for preparing the same | MITSUI CHEMICALS INC (JP) | 2008-05-28 | — | — | EP | disclosed |
| US-6235911-B1 | 5-aminopyrazole-4-carboxylate derivative and process for preparing the same | MITSUI CHEMICALS, INC. (JP) | 2001-05-22 | — | — | US | disclosed |
| EP-1067121-A2 | 5-Aminopyrazole-4-carboxylate derivative and process for preparing the same | Mitsui Chemicals, Inc. (JP) | 2001-01-10 | — | — | EP | 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 (2 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-20120172379-A1 | 4 SUBSTITUTED PYRAZOLOPYRIMIDINES | MAP4K5, MAP4K4, MAP4K2 | ALDH1A1 2643/4885TSHR 3959/4885CYP2C9 1558/4885 |
| US-20200247800-A1 | SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS | NOX1, CYBB, NOX4 | ALDH1A1 467/4885TSHR 3792/4885CYP2C9 741/4885 |
“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.