SCHEMBL6522734

SCHEMBL6522734

O=C1Nc2ccc(Cl)cc2C1=Cc1ccc2c(C=Cc3ccncc3)n[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.55
CDK4 P11802 2/20 0.55
CCNA2 P20248 2/20 0.55
CCND1 P24385 2/20 0.55
CDK2 P24941 2/20 0.55
CCND3 P30281 2/20 0.55
LRRK2 Q5S007 8/20 0.51
PSEN1 P49768 5/20 0.51
PSEN2 P49810 5/20 0.51
APH1B Q8WW43 5/20 0.51
NCSTN Q92542 5/20 0.51
APH1A Q96BI3 5/20 0.51
PSENEN Q9NZ42 5/20 0.51
TTK P33981 1/20 0.47
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
CDK1 P06493 1/20 0.44

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
SCHEMBL6522731 1.00 CHEK1 (0.55) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL3715070 0.88 PLK4 (0.52) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL12795374 0.88 APP (0.48) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL3715068 0.88 PLK4 (0.52) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL13654213 0.88 RET (0.48) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL12795369 0.88 RET (0.48) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL6522644 0.88 TTK (0.49) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL6522651 0.88 TTK (0.49) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL12795410 0.88 PLK4 (0.52) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL585523 0.88 CHEK1 (0.53) CHEK1CDK4CCNA2CCND1CDK2

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 CHEK1 97/4885CDK4 359/4885CCNA2 1330/4885

“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.