Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 14/20 | 0.58 |
| ▸ | CCNT1 | O60563 | 10/20 | 0.58 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.58 |
| ▸ | CDK1 | P06493 | 2/20 | 0.58 |
| ▸ | CDK4 | P11802 | 2/20 | 0.58 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.58 |
| ▸ | CCND1 | P24385 | 2/20 | 0.58 |
| ▸ | ABL2 | P42684 | 2/20 | 0.58 |
| ▸ | GSK3A | P49840 | 2/20 | 0.58 |
| ▸ | CDK7 | P50613 | 2/20 | 0.58 |
| ▸ | CCNH | P51946 | 2/20 | 0.58 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.58 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.54 |
| ▸ | CDK2 | P24941 | 1/20 | 0.54 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.54 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.54 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1849244 | 0.90 | CYP1A2 (0.58) | CDK9CCNT1MAP4K4CDK1CDK4 | |
| SCHEMBL30507282 | 0.90 | CYP1A2 (0.58) | CDK9CCNT1MAP4K4CDK1CDK4 | |
| Hydrochloric Acid SCHEMBL2809031 | 0.89 | CYP1A2 (0.57) | CDK9CCNT1MAP4K4CDK1CDK4 | |
| SCHEMBL1849641 | 0.76 | ASIC3 (0.49) | CDK9CCNT1CYP1A2CYP2C19CLK4 | |
| SCHEMBL1854401 | 0.76 | ALOX5AP (0.51) | CDK9CCNT1MAP4K4CYP1A2CYP2C19 | |
| SCHEMBL4103907 | 0.75 | USP2 (0.72) | CDK9CCNT1MAP4K4CDK1CDK4 | |
| SCHEMBL4111486 | 0.75 | CDK9 (0.83) | CDK9CCNT1MAP4K4CDK1CDK4 | |
| SCHEMBL4643211 | 0.74 | CYP1A2 (0.65) | CDK9CCNT1MAP4K4CDK1CDK4 | |
| SCHEMBL2812677 | 0.74 | ALDH1A1 (0.51) | CDK9CCNT1CDK2CYP1A2CYP2C19 | |
| SCHEMBL1849403 | 0.74 | USP2 (0.51) | CDK9CCNT1CYP1A2CYP2C19CLK4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150038516-A1 | Inhibitors of Protein Kinases | ASTRAZENECA AB (SE) | 2015-02-05 | — | — | US | disclosed |
| US-8716296-B2 | Inhibitors of protein kinases | INGENIUM PHARMACEUTICALS GMBH (DE) | 2014-05-06 | — | — | US | disclosed |
| US-20100249149-A1 | Inhibitors of Protein Kinases | ASTRAZENECA AB (SE) | 2010-09-30 | — | — | US | disclosed |
| EP-2212297-A1 | INHIBITORS OF PROTEIN KINASES | Ingenium Pharmaceuticals GmbH (DE) | 2010-08-04 | — | — | EP | disclosed |
| WO-2009047359-A1 | INHIBITORS OF PROTEIN KINASES | INGENIUM PHARMACEUTICALS GMBH (DE) | 2009-04-16 | — | — | 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 (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-20100249149-A1 | Inhibitors of Protein Kinases | CDK9, CDK19, CDK2 | CDK9 1/4885CCNT1 122/4885MAP4K4 78/4885 |
| US-20150038516-A1 | Inhibitors of Protein Kinases | CDK1, CDK2, CCNK | CDK9 22/4885CCNT1 17/4885MAP4K4 76/4885 |
“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.