SCHEMBL4780317

SCHEMBL4780317

O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc2c3c(c[nH]c3c1)C=NNC2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.59
CDK2 P24941 3/20 0.59
ROCK1 Q13464 2/20 0.59
PLK4 O00444 1/20 0.59
AURKA O14965 1/20 0.59
MAPK13 O15264 1/20 0.59
PDPK1 O15530 1/20 0.59
JAK2 O60674 1/20 0.59
PRKD3 O94806 1/20 0.59
MAP4K4 O95819 1/20 0.59
CHEK2 O96017 1/20 0.59
ABL1 P00519 1/20 0.59
EGFR P00533 1/20 0.59
PRKCG P05129 1/20 0.59
LCK P06239 1/20 0.59
FYN P06241 1/20 0.59
CDK1 P06493 1/20 0.59
RET P07949 1/20 0.59
ROS1 P08922 1/20 0.59
KIT P10721 1/20 0.59

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
SCHEMBL4791848 0.88 KDR (0.54) ROCK2CDK2ROCK1PLK4AURKA
SCHEMBL4815437 0.80 ROCK2 (0.61) ROCK2CDK2ROCK1PLK4AURKA
SCHEMBL13987205 0.78 AURKA (0.61) ROCK2CDK2ROCK1PLK4AURKA
SCHEMBL4778672 0.78 ROCK2 (0.58) ROCK2CDK2ROCK1PLK4AURKA
SCHEMBL4775291 0.78 MAPK1 (0.58) ROCK2CDK2ROCK1PLK4AURKA
SCHEMBL14144122 0.78 PLK4 (0.63) ROCK2CDK2ROCK1PLK4AURKA
SCHEMBL13987826 0.78 ROCK2 (0.56) ROCK2CDK2ROCK1PLK4AURKA
SCHEMBL4776767 0.78 AURKA (0.47) ROCK2CDK2ROCK1PLK4AURKA
SCHEMBL4778722 0.77 AURKA (0.60) ROCK2CDK2ROCK1PLK4AURKA
SCHEMBL4779613 0.77 ROCK2 (0.56) ROCK2CDK2ROCK1PLK4AURKA

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 12 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
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 ROCK2 608/4885CDK2 26/4885ROCK1 502/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA ROCK2 566/4885CDK2 37/4885ROCK1 455/4885

“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.