SCHEMBL4815946

SCHEMBL4815946

O=C(NCC1CCCCC1)Nc1cc2c3c(c[nH]c3c1)C=NNC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.54
KDR P35968 4/20 0.54
AURKA O14965 3/20 0.54
ROCK2 O75116 3/20 0.54
FLT3 P36888 3/20 0.54
PLK4 O00444 2/20 0.54
CHEK2 O96017 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
RET P07949 2/20 0.54
FGFR1 P11362 2/20 0.54
SRC P12931 2/20 0.54
FGFR3 P22607 2/20 0.54
RPS6KB1 P23443 2/20 0.54
MARK3 P27448 2/20 0.54
LIMK1 P53667 2/20 0.54
PRKAA1 Q13131 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
SCHEMBL4778250 0.79 AURKA (0.54) BTKKDRAURKAROCK2FLT3
SCHEMBL4778607 0.79 AURKA (0.52) BTKKDRAURKAROCK2FLT3
SCHEMBL4772951 0.77 AURKA (0.56) BTKKDRAURKAROCK2FLT3
SCHEMBL6531327 0.77 AKT2 (0.60) BTKKDRAURKAROCK2FLT3
SCHEMBL13987232 0.74 AURKA (0.58) BTKKDRAURKAROCK2FLT3
SCHEMBL4962767 0.74 AURKA (0.70) BTKKDRAURKAROCK2FLT3
SCHEMBL6104814 0.73 BTK (0.42) BTKKDRAURKAROCK2FLT3
SCHEMBL4775382 0.73 AURKA (0.48) BTKKDRAURKAROCK2FLT3
SCHEMBL4780421 0.72 PLK4 (0.58) BTKKDRAURKAROCK2FLT3
SCHEMBL13987239 0.72 AURKA (0.55) BTKKDRAURKAROCK2FLT3

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 8 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA BTK 1278/4885KDR 1179/4885AURKA 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.