SCHEMBL4774689

SCHEMBL4774689

CC(NC(=O)c1cc2c3c(c(-c4ccccc4)[nH]c3c1)C=NNC2=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.47
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
ROCK2 O75116 5/20 0.43
KDM4E B2RXH2 1/20 0.42
BACE1 P56817 2/20 0.41
BACE2 Q9Y5Z0 2/20 0.41
ROCK1 Q13464 4/20 0.40
CDK1 P06493 2/20 0.40
CSF1R P07333 2/20 0.40
RPS6KB1 P23443 2/20 0.40
KDR P35968 2/20 0.40
FLT3 P36888 2/20 0.40
LIMK1 P53667 2/20 0.40
AURKB Q96GD4 2/20 0.40
RPS6KA5 O75582 1/20 0.40
MAP4K4 O95819 1/20 0.40
PRKACA P17612 1/20 0.40
FLT1 P17948 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL4779798 1.00 IMPDH2 (0.47) IMPDH2PARP1PARP2ROCK2KDM4E
SCHEMBL4780501 1.00 IMPDH2 (0.47) IMPDH2PARP1PARP2ROCK2KDM4E
SCHEMBL4780334 0.95 PARP1 (0.44) IMPDH2PARP1PARP2ROCK2KDM4E
SCHEMBL4780065 0.94 PDE2A (0.47) IMPDH2PARP1PARP2ROCK2KDM4E
SCHEMBL4777119 0.94 NPC1 (0.44) IMPDH2PARP1PARP2ROCK2BACE1
SCHEMBL4813129 0.88 PDE2A (0.46) IMPDH2PARP1PARP2ROCK2ROCK1
SCHEMBL4815268 0.87 PAK4 (0.44) PARP1PARP2ROCK2ROCK1CDK1
SCHEMBL4772577 0.86 PARP1 (0.46) PARP1PARP2ROCK2ROCK1CDK1
SCHEMBL4774776 0.84 PARP1 (0.44) PARP1PARP2KDM4ECDK1CSF1R
SCHEMBL4778270 0.83 NPC1 (0.44) PARP1PARP2ROCK2KDM4EROCK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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-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-7132533-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2006-11-07 US disclosed
US-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2006-01-05 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

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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK1, CHEK2, CHKA IMPDH2 4098/4885PARP1 619/4885PARP2 780/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA IMPDH2 4131/4885PARP1 582/4885PARP2 770/4885

“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.