SCHEMBL4773016

SCHEMBL4773016

Nc1cc2c3c(c(-c4ccccc4)[nH]c3c1)C=NNC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.47
PARP2 Q9UGN5 1/20 0.47
AURKA O14965 3/20 0.40
MAP3K11 Q16584 2/20 0.40
PLK4 O00444 2/20 0.40
CHEK2 O96017 2/20 0.40
ABL1 P00519 2/20 0.40
EGFR P00533 2/20 0.40
LCK P06239 2/20 0.40
FYN P06241 2/20 0.40
CDK1 P06493 2/20 0.40
RET P07949 2/20 0.40
FGFR1 P11362 2/20 0.40
SRC P12931 2/20 0.40
FGFR3 P22607 2/20 0.40
RPS6KB1 P23443 2/20 0.40
MARK3 P27448 2/20 0.40
KDR P35968 2/20 0.40
FLT3 P36888 2/20 0.40
LIMK1 P53667 2/20 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
Acetic Acid SCHEMBL4773115 0.94 PARP1 (0.45) PARP1PARP2AURKAMAP3K11PLK4
SCHEMBL13987385 0.89 PARP1 (0.43) PARP1PARP2AURKAMAP3K11PLK4
Hydrochloric Acid SCHEMBL4778296 0.88 PARP1 (0.43) PARP1PARP2AURKAMAP3K11PLK4
SCHEMBL4775292 0.84 PARP1 (0.46) PARP1PARP2AURKAMAP3K11PLK4
SCHEMBL4817915 0.83 NPC1 (0.38) PARP1PARP2AURKAMAP3K11PLK4
SCHEMBL4776804 0.83 PARP1 (0.44) PARP1PARP2AURKAMAP3K11PLK4
SCHEMBL4821015 0.83 PARP1 (0.45) PARP1PARP2AURKAMAP3K11PLK4
SCHEMBL4776187 0.82 PARP1 (0.47) PARP1PARP2AURKAMAP3K11PLK4
SCHEMBL12750524 0.82 PARP1 (0.65) PARP1PARP2PLK4LIMK1HPGD
SCHEMBL13987445 0.82 PARP1 (0.42) PARP1PARP2AURKAMAP3K11PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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
EP-1585749-A1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER INC. (US) 2005-10-19 EP 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
WO-2004063198-A1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER INC. (US) 2004-07-29 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-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK1, CHEK2, CHKA PARP1 619/4885PARP2 780/4885AURKA 133/4885
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.