SCHEMBL871829

SCHEMBL871829

Cc1nc2c(C(N)=O)cccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 1.00
PKN1 Q16512 2/20 0.58
PKN2 Q16513 2/20 0.58
PLK4 O00444 1/20 0.58
MAPK13 O15264 1/20 0.58
DYRK3 O43781 1/20 0.58
ROCK2 O75116 1/20 0.58
RPS6KA5 O75582 1/20 0.58
PRKD3 O94806 1/20 0.58
MAP4K4 O95819 1/20 0.58
CHEK2 O96017 1/20 0.58
PIM1 P11309 1/20 0.58
PHKG2 P15735 1/20 0.58
PRKACA P17612 1/20 0.58
RPS6KB1 P23443 1/20 0.58
CSNK1D P48730 1/20 0.58
CLK2 P49760 1/20 0.58
GSK3A P49840 1/20 0.58
PRKX P51817 1/20 0.58
PRKCZ Q05513 1/20 0.58

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
SCHEMBL1298127 0.85 PARP1 (0.73) PARP1DHODH
SCHEMBL13544690 0.85 PARP1 (0.73) PARP1DHODH
SCHEMBL16497016 0.81 PARP1 (0.69) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL1933246 0.81 PARP1 (0.69) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL6842051 0.81 PARP1 (0.69) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL7477535 0.81 PARP1 (0.68) PARP1PKN1PKN2DHODHPLA2G2A
SCHEMBL23581692 0.80 PARP1 (0.66) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL6842030 0.80 PARP1 (0.67) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL6842025 0.80 PARP1 (0.66) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL16555253 0.80 PARP1 (0.66) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
WO-2023064164-A1 CHIMERIC COMPOUNDS USEFUL IN TREATING DISEASES PADARN THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
EP-3471721-B1 TREATMENT OF VASCULAR CALCIFICATION CAMBRIDGE ENTPR LTD (GB) 2021-09-29 EP disclosed
US-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER ARQULE, INC. 2020-05-21 US disclosed
EP-2389589-B1 METHODS OF DIAGNOSING AND TREATING MULTIPLE SCLEROSIS BRIGHAM & WOMENS HOSPITAL (US) 2015-08-12 EP disclosed
US-20140343095-A1 Methods of Diagnosing and Treating Multiple Sclerosis THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2014-11-20 US disclosed
EP-1706398-B1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-05-21 EP disclosed
US-20120077770-A1 Methods of Diagnosing and Treating Multiple Sclerosis THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-03-29 US disclosed
US-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-29 US disclosed
US-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
EP-0841924-B1 BENZIMIDAZOLE COMPOUNDS UNIV NEWCASTLE VENTURES LTD (GB) 2002-10-02 EP disclosed
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 disclosed
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 disclosed
EP-0841924-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-05-20 EP disclosed
WO-1997004771-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1997-02-13 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 (3 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-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER TP53, KRAS, VHL PARP1 1298/4885PKN1 1221/4885PKN2 1418/4885
US-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PKN1 1633/4885PKN2 1282/4885
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS P2RY1, P2RY11, P2RY2 PARP1 459/4885PKN1 802/4885PKN2 910/4885

“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.