SCHEMBL4775423

SCHEMBL4775423

Cc1c(F)cccc1C(=O)Nc1cc2c3c(c[nH]c3c1)C=NNC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.54
PRKD3 O94806 2/20 0.54
MAP4K4 O95819 2/20 0.54
ABL1 P00519 2/20 0.54
EGFR P00533 2/20 0.54
LCK P06239 2/20 0.54
FYN P06241 2/20 0.54
CDK1 P06493 2/20 0.54
SRC P12931 2/20 0.54
MARK3 P27448 2/20 0.54
AXL P30530 2/20 0.54
FLT4 P35916 2/20 0.54
FLT3 P36888 2/20 0.54
FRK P42685 2/20 0.54
CLK2 P49760 2/20 0.54
GSK3B P49841 2/20 0.54
BLK P51451 2/20 0.54
RPS6KA3 P51812 2/20 0.54
NEK2 P51955 2/20 0.54
NEK4 P51957 2/20 0.54

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
SCHEMBL4780445 0.79 AURKA (0.46) ROCK2PRKD3MAP4K4ABL1EGFR
SCHEMBL4778722 0.78 AURKA (0.60) ROCK2PRKD3MAP4K4ABL1EGFR
SCHEMBL4779867 0.77 PLK4 (0.55) ROCK2PRKD3MAP4K4ABL1EGFR
SCHEMBL6531327 0.76 AKT2 (0.60) ROCK2PRKD3MAP4K4ABL1EGFR
SCHEMBL4776795 0.75 AURKA (0.57) ROCK2PRKD3MAP4K4ABL1EGFR
SCHEMBL4962767 0.73 AURKA (0.70) ROCK2PRKD3MAP4K4ABL1EGFR
SCHEMBL4818072 0.73 AURKA (0.55) ROCK2PRKD3MAP4K4ABL1EGFR
SCHEMBL13987239 0.73 AURKA (0.55) ROCK2PRKD3MAP4K4ABL1EGFR
SCHEMBL4778589 0.72 AURKA (0.61) ROCK2PRKD3MAP4K4ABL1EGFR
SCHEMBL13987442 0.72 AURKA (0.61) ROCK2PRKD3MAP4K4ABL1EGFR

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 ROCK2 608/4885PRKD3 139/4885MAP4K4 49/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA ROCK2 566/4885PRKD3 145/4885MAP4K4 54/4885

“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.