SCHEMBL3798541

SCHEMBL3798541

COc1ccc2c(c1)C(=Cc1ccc3c(C=Cc4ccncc4)n[nH]c3c1)C(=O)N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.50
TLK2 Q86UE8 4/20 0.50
CHEK1 O14757 4/20 0.50
CDK1 P06493 3/20 0.50
CDK4 P11802 3/20 0.50
CCNA2 P20248 3/20 0.50
CCND1 P24385 3/20 0.50
CCND3 P30281 2/20 0.50
RET P07949 5/20 0.48
AURKB Q96GD4 3/20 0.48
MAPK1 P28482 2/20 0.48
KDR P35968 2/20 0.48
GSK3A P49840 2/20 0.48
GSK3B P49841 2/20 0.48
CDK7 P50613 2/20 0.48
CDK9 P50750 2/20 0.48
CDK5 Q00535 2/20 0.48
PDPK1 O15530 2/20 0.48
CCNE1 P24864 2/20 0.48
LRRK2 Q5S007 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
SCHEMBL3798538 1.00 CDK2 (0.50) CDK2TLK2CHEK1CDK1CDK4
SCHEMBL12795351 0.89 RET (0.48) CDK2TLK2CHEK1CDK1CDK4
SCHEMBL6533056 0.89 RET (0.48) CDK2TLK2CHEK1CDK1CDK4
SCHEMBL6533048 0.89 RET (0.48) CDK2TLK2CHEK1CDK1CDK4
SCHEMBL6522542 0.89 RET (0.52) CDK2TLK2CHEK1CDK1CDK4
SCHEMBL6522539 0.89 RET (0.52) CDK2TLK2CHEK1CDK1CDK4
SCHEMBL6523194 0.88 FCER2 (0.49) CDK2TLK2CHEK1CDK1CDK4
SCHEMBL6523191 0.88 FCER2 (0.49) CDK2TLK2CHEK1CDK1CDK4
SCHEMBL6523186 0.88 FCER2 (0.49) CDK2TLK2CHEK1CDK1CDK4
SCHEMBL6523237 0.88 LRRK2 (0.46) CDK2TLK2CHEK1CDK1CDK4

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 5 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
EP-2235004-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLMONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER University Health Network (CA) 2010-10-06 EP disclosed
WO-2009079767-A9 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-10-01 WO disclosed
WO-2009079767-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-07-02 WO 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 CDK2 323/4885TLK2 202/4885CHEK1 97/4885

“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.