SCHEMBL3714151

SCHEMBL3714151

COC(=O)c1ccc(C=Cc2n[nH]c3cc(C#N)ccc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.63
KDR P35968 14/20 0.50
CHEK1 O14757 4/20 0.50
AURKB Q96GD4 2/20 0.47
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
TRPA1 O75762 1/20 0.45
MAP2K4 P45985 3/20 0.45
PTPN1 P18031 1/20 0.43
FGFR1 P11362 5/20 0.43
BMPR1B O00238 1/20 0.43
PLK4 O00444 1/20 0.43
STK25 O00506 1/20 0.43
CIT O14578 1/20 0.43
RIOK3 O14730 1/20 0.43
IKBKB O14920 1/20 0.43
AURKA O14965 1/20 0.43
GAK O14976 1/20 0.43
DCLK1 O15075 1/20 0.43
CHUK O15111 1/20 0.43

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
SCHEMBL3714150 1.00 TTK (0.63) TTKKDRCHEK1AURKBCCNA2
SCHEMBL3719616 0.86 TTK (0.68) TTKKDRCHEK1AURKBMAP2K4
SCHEMBL3719619 0.86 TTK (0.68) TTKKDRCHEK1AURKBMAP2K4
SCHEMBL3706742 0.84 KDR (0.54) KDRCHEK1CCNA2CDK2MAP2K4
SCHEMBL3706741 0.84 KDR (0.54) KDRCHEK1CCNA2CDK2MAP2K4
SCHEMBL12794979 0.83 KDR (0.53) KDRCHEK1AURKBCCNA2CDK2
SCHEMBL27626218 0.80 KDR (0.60) TTKKDRCHEK1AURKBMAP2K4
SCHEMBL1596140 0.80 KDR (0.60) TTKKDRCHEK1AURKBMAP2K4
SCHEMBL6568159 0.78 PTPN1 (0.58) PTPN1
SCHEMBL586434 0.78 TTK (1.00) TTKKDRCHEK1AURKBCCNA2

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 TTK 421/4885KDR 679/4885CHEK1 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.