SCHEMBL630485

SCHEMBL630485

NC(=O)c1cccc2[nH]cnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 1.00
PLK4 O00444 1/20 0.47
MAPK13 O15264 1/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
CHEK2 O96017 1/20 0.47
PIM1 P11309 1/20 0.47
PHKG2 P15735 1/20 0.47
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CSNK1D P48730 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47
PRKX P51817 1/20 0.47
PRKCZ Q05513 1/20 0.47
STK3 Q13188 1/20 0.47
PRKG2 Q13237 1/20 0.47

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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7358627 0.98 PARP1 (0.97) PARP1PLK4MAPK13DYRK3ROCK2
Fumaric Acid SCHEMBL7358387 0.91 PARP1 (0.82) PARP1DHODH
Benzimidazole SCHEMBL27528706 0.91 PARP1 (0.82) PARP1DHODH
Citric Acid SCHEMBL7363546 0.84 PARP1 (0.70) PARP1DHODH
SCHEMBL453514 0.84 PARP1 (0.72) PARP1DHODH
SCHEMBL30225819 0.83 PARP1 (0.68) PARP1PKN1PKN2
Hydrochloric Acid SCHEMBL2129546 0.82 PARP1 (0.70) PARP1DHODH
SCHEMBL112629 0.82 PARP1 (0.70) PARP1
Hydrochloric Acid SCHEMBL22165594 0.82 PARP1 (0.70) PARP1DHODH
SCHEMBL9218238 0.82 PARP1 (0.70) PARP1DHODH

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 472 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025042769-A1 COMPOUNDS AND METHODS FOR INHIBITING POLY(ADP-RIBOSE) POLYMERASES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2025-02-27 WO claimed
CN-119303087-A Preventive and/or therapeutic agent for chronic prostatitis/chronic pelvic pain syndrome 日本新药株式会社 2025-01-14 CN claimed
CN-114867495-B Preventive and/or therapeutic agent for chronic prostatitis/chronic pelvic pain syndrome 日本新药株式会社 2024-10-18 CN claimed
US-20230040402-A1 ANTITUMOR DRUG FOR USE IN COMBINATION WITH IMMUNE CHECKPOINT INHIBITOR NIPPON SHINYAKU CO., LTD. (JP) 2023-02-09 US claimed
CN-114867495-A Prophylactic and/or therapeutic agent for chronic prostatitis/chronic pelvic pain syndrome 日本新药株式会社 2022-08-05 CN claimed
CN-114845735-A Antitumor drug combined with immune checkpoint inhibitor 日本新药株式会社 2022-08-02 CN claimed
EP-4003980-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 Ribon Therapeutics Inc. (US) 2022-06-01 EP claimed
WO-2021132473-A1 ANTITUMOR DRUG FOR USE IN COMBINATION WITH IMMUNE CHECKPOINT INHIBITOR 日本新薬株式会社 2021-07-01 WO claimed
WO-2021132472-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR CHRONIC PROSTATITIS/CHRONIC PELVIC PAIN SYNDROME 日本新薬株式会社 2021-07-01 WO claimed
WO-2021021986-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 RIBON THERAPEUTICS, INC. (US) 2021-02-04 WO claimed
EP-0841924-B1 BENZIMIDAZOLE COMPOUNDS UNIV NEWCASTLE VENTURES LTD (GB) 2002-10-02 EP claimed
US-6310082-B1 PHARMACEUTICAL COMPOSITION COMPRISING EFFECTIVE POLY(ADP-RIBOSE)POLYMERASE ENZYME INHIBITING AMOUNT OF BENZIMIDAZOLE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT AND/OR PRO-DRUG FORM THEREOF, WITH ACCEPTABLE CARRIER NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-30 US claimed
EP-1107966-A2 OXO-PYRIDOIMIDAZOLE-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2001-06-20 EP claimed
EP-0656002-B1 3-OXO-PYRIDO(1,2-A -)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A -)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB INC (US) 2000-11-08 EP claimed
US-6100283-A PRODRUG PHOSPHATE DERIVATIVE FOR POLY (ADP-RIBOSE) POLYMERASE ENZYME INHIBITOR FOR ADMINISTERING IN CONJUNCTION WITH ANTITUMOR DRUG OR RADIOTHERAPY NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2000-08-08 US claimed
WO-2000010973-A2 OXO-PYRIDOIMIDAZOLE-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-03-02 WO claimed
EP-0841924-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-05-20 EP claimed
WO-1997004771-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1997-02-13 WO claimed
EP-0656002-A1 3-OXO-PYRIDO(1,2-A -)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A -)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB, INC. (US) 1995-06-07 EP claimed
WO-1994004532-A1 3-OXO-PYRIDO(1,2-A^_)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A^_)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB, INC. (US) 1994-03-03 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230040402-A1 ANTITUMOR DRUG FOR USE IN COMBINATION WITH IMMUNE CHECKPOINT INHIBITOR MPEG1, CD274, PDCD1 PARP1 492/4885PLK4 1242/4885MAPK13 3641/4885

“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.