SCHEMBL6533458

SCHEMBL6533458

N#Cc1ccc2c(c1)C(=Cc1ccc3c(C=Cc4ccncc4)n[nH]c3c1)C(=O)N2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.66
AURKB Q96GD4 1/20 0.46
PDPK1 O15530 1/20 0.45
CHEK1 O14757 13/20 0.44
CDK4 P11802 6/20 0.43
CCNA2 P20248 6/20 0.43
CCND1 P24385 6/20 0.43
CDK2 P24941 6/20 0.43
CCND3 P30281 6/20 0.43
CDK1 P06493 5/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
TLK2 Q86UE8 1/20 0.37
LCK P06239 1/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL6533456 1.00 TTK (0.66) TTKAURKBPDPK1CHEK1CDK4
SCHEMBL12795390 1.00 TTK (0.66) TTKAURKBPDPK1CHEK1CDK4
SCHEMBL13654213 0.86 RET (0.48) TTKPDPK1CHEK1CDK4CCNA2
SCHEMBL3715070 0.86 PLK4 (0.52) TTKCHEK1CDK4CCNA2CCND1
SCHEMBL6522734 0.86 CHEK1 (0.55) TTKCHEK1CDK4CCNA2CCND1
SCHEMBL6522731 0.86 CHEK1 (0.55) TTKCHEK1CDK4CCNA2CCND1
SCHEMBL12795410 0.86 PLK4 (0.52) TTKCHEK1CDK4CCNA2CCND1
SCHEMBL6522651 0.86 TTK (0.49) TTKPDPK1CHEK1CDK4CCNA2
SCHEMBL12795374 0.86 APP (0.48) TTKPDPK1CHEK1CDK4CCNA2
SCHEMBL6522644 0.86 TTK (0.49) TTKPDPK1CHEK1CDK4CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765748-B2 Indazolyl, benzimidazolyl, benzotriazolyl substituted indolinone derivatives as kinase inhibitors useful in the treatment of cancer UNIVERSITY HEALTH NETWORK (CA) 2014-07-01 US disclosed
US-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK 2011-03-17 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-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER TNNI3K, ABL1, TK1 TTK 421/4885AURKB 40/4885PDPK1 246/4885

“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.