SCHEMBL3716487

SCHEMBL3716487

COc1ccc2c(c1)/C(=C\c1ccc3c(/C=C/c4ccccn4)n[nH]c3c1)C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 4/20 0.48
LRRK2 Q5S007 1/20 0.46
RET P07949 5/20 0.46
PDPK1 O15530 2/20 0.46
CHEK1 O14757 2/20 0.46
KDR P35968 5/20 0.44
GSK3B P49841 4/20 0.44
CDK2 P24941 3/20 0.44
CDK1 P06493 2/20 0.44
MAPK1 P28482 2/20 0.44
GSK3A P49840 2/20 0.44
CDK7 P50613 2/20 0.44
CDK9 P50750 2/20 0.44
CDK5 Q00535 2/20 0.44
FGFR1 P11362 2/20 0.44
CCNE1 P24864 2/20 0.44
NTRK1 P04629 2/20 0.44
NTRK2 Q16620 2/20 0.44
PLK4 O00444 1/20 0.44
AURKA O14965 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
SCHEMBL3716493 1.00 TLK2 (0.48) TLK2LRRK2RETPDPK1CHEK1
SCHEMBL14950690 1.00 TLK2 (0.48) TLK2LRRK2RETPDPK1CHEK1
SCHEMBL6531026 1.00 TLK2 (0.48) TLK2LRRK2RETPDPK1CHEK1
SCHEMBL12795260 0.88 GSK3B (0.48) LRRK2RETPDPK1CHEK1KDR
SCHEMBL3712945 0.88 GSK3B (0.58) TLK2LRRK2RETPDPK1CHEK1
SCHEMBL3712948 0.88 GSK3B (0.58) TLK2LRRK2RETPDPK1CHEK1
SCHEMBL3795730 0.88 GSK3B (0.58) TLK2LRRK2RETPDPK1CHEK1
SCHEMBL3408038 0.88 GSK3B (0.58) TLK2LRRK2RETPDPK1CHEK1
SCHEMBL3798538 0.86 CDK2 (0.50) TLK2LRRK2RETPDPK1CHEK1
SCHEMBL3798541 0.86 CDK2 (0.50) TLK2LRRK2RETPDPK1CHEK1

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 6 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
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 TLK2 202/4885LRRK2 254/4885RET 234/4885

“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.