SCHEMBL6533048

SCHEMBL6533048

COc1ccc2c(c1)/C(=C/c1ccc3c(/C=C/c4cccnc4)n[nH]c3c1)C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.48
TLK2 Q86UE8 4/20 0.48
CDK2 P24941 4/20 0.48
CDK1 P06493 3/20 0.48
GSK3B P49841 3/20 0.48
MAPK1 P28482 3/20 0.48
CHEK1 O14757 3/20 0.48
KDR P35968 2/20 0.48
GSK3A P49840 2/20 0.48
CDK7 P50613 2/20 0.48
CDK9 P50750 2/20 0.48
CDK5 Q00535 2/20 0.48
CDK4 P11802 2/20 0.48
CCNA2 P20248 2/20 0.48
CCND1 P24385 2/20 0.48
MAPT P10636 2/20 0.48
PDPK1 O15530 2/20 0.48
CCNE1 P24864 2/20 0.48
PLK4 O00444 1/20 0.48
AURKA O14965 1/20 0.48

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
SCHEMBL12795351 1.00 RET (0.48) RETTLK2CDK2CDK1GSK3B
SCHEMBL6533056 1.00 RET (0.48) RETTLK2CDK2CDK1GSK3B
SCHEMBL3798538 0.89 CDK2 (0.50) RETTLK2CDK2CDK1GSK3B
SCHEMBL3798541 0.89 CDK2 (0.50) RETTLK2CDK2CDK1GSK3B
SCHEMBL13654148 0.89 GSK3B (0.48) RETCDK2CDK1GSK3BMAPK1
SCHEMBL2546440 0.87 MAPT (0.62) RETTLK2CDK2CDK1GSK3B
SCHEMBL2546437 0.87 MAPT (0.62) RETTLK2CDK2CDK1GSK3B
SCHEMBL6533045 0.87 GSK3B (0.48) GSK3BMAPK1CHEK1KDRMAPT
SCHEMBL6533042 0.87 GSK3B (0.48) GSK3BMAPK1CHEK1KDRMAPT
SCHEMBL13654222 0.87 GSK3B (0.48) GSK3BMAPK1CHEK1KDRMAPT

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 RET 234/4885TLK2 202/4885CDK2 323/4885

“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.