Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. 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 | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.45 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 3/20 | 0.43 |
| ▸ | PLK4 | O00444 | 2/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.43 |
| ▸ | ABL1 | P00519 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | LCK | P06239 | 2/20 | 0.43 |
| ▸ | FYN | P06241 | 2/20 | 0.43 |
| ▸ | CDK1 | P06493 | 2/20 | 0.43 |
| ▸ | RET | P07949 | 2/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.43 |
| ▸ | SRC | P12931 | 2/20 | 0.43 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.43 |
| ▸ | MARK3 | P27448 | 2/20 | 0.43 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | FLT3 | P36888 | 2/20 | 0.43 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.43 |
| ▸ | BTK | Q06187 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4773016 | 0.94 | PARP1 (0.47) | PARP1PARP2AURKAPLK4CHEK2 | |
| SCHEMBL4776804 | 0.83 | PARP1 (0.44) | PARP1PARP2AURKAPLK4CHEK2 | |
| SCHEMBL4821015 | 0.83 | PARP1 (0.45) | PARP1PARP2AURKAPLK4CHEK2 | |
| Hydrochloric Acid SCHEMBL4778296 | 0.83 | PARP1 (0.43) | PARP1PARP2AURKAPLK4CHEK2 | |
| SCHEMBL14144310 | 0.83 | AURKA (0.51) | PARP1PARP2AURKAPLK4CHEK2 | |
| SCHEMBL4780114 | 0.81 | PARP1 (0.46) | PARP1PARP2AURKAPLK4CHEK2 | |
| SCHEMBL4772577 | 0.81 | PARP1 (0.46) | PARP1PARP2AURKAPLK4CHEK2 | |
| SCHEMBL13987445 | 0.79 | PARP1 (0.42) | PARP1PARP2AURKAPLK4CHEK2 | |
| SCHEMBL4817915 | 0.79 | NPC1 (0.38) | PARP1PARP2AURKAPLK4CHEK2 | |
| SCHEMBL4794640 | 0.78 | AURKA (0.51) | PARP1PARP2AURKAPLK4CHEK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1585749-B1 | DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS | PFIZER (US) | 2008-08-13 | — | — | EP | claimed |
| EP-1585749-A1 | DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS | PFIZER INC. (US) | 2005-10-19 | — | — | EP | claimed |
| WO-2004063198-A1 | DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS | PFIZER INC. (US) | 2004-07-29 | — | — | WO | claimed |
| US-7462713-B2 | Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy | AGOURON PHARMACEUTICALS, INC. (US) | 2008-12-09 | — | — | US | disclosed |
| EP-1585749-B1 | DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS | PFIZER (US) | 2008-08-13 | — | — | EP | disclosed |
| EP-1947102-A1 | Compositions comprising diazepinoindole derivatives as kinase inhibitors | Pfizer, Inc. (US) | 2008-07-23 | — | — | EP | disclosed |
| US-20070135415-A1 | TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY | AGOURON PHARMACEUTICALS, INC. | 2007-06-14 | — | — | US | disclosed |
| US-6967198-B2 | Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy | AGOURON PHARMACEUTICALS INC. (US) | 2005-11-22 | — | — | US | disclosed |
| US-20050075499-A1 | Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy | AGOURON PHARMACEUTICALS, INC. | 2005-04-07 | — | — | US | 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-20050075499-A1 | Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy | CHEK2, CHEK1, CHKA | PARP1 628/4885PARP2 808/4885AURKA 130/4885 |
| US-20070135415-A1 | TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY | CHEK1, CHEK2, CHKA | PARP1 582/4885PARP2 770/4885AURKA 122/4885 |
“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.