SCHEMBL3713764

SCHEMBL3713764

O=Cc1ccc2c(/C=C/c3ccccc3)n[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.68
KDR P35968 11/20 0.64
FGFR1 P11362 1/20 0.63
CDK4 P11802 2/20 0.61
CCND1 P24385 2/20 0.61
CCND3 P30281 2/20 0.61
CDK1 P06493 1/20 0.61
CCNA2 P20248 1/20 0.61
CDK2 P24941 1/20 0.61
LCK P06239 1/20 0.55

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
SCHEMBL3713767 1.00 CHEK1 (0.68) CHEK1KDRFGFR1CDK4CCND1
SCHEMBL586321 0.87 TTK (0.64) CHEK1KDRFGFR1CDK4CCND1
SCHEMBL586320 0.87 TTK (0.64) CHEK1KDRFGFR1CDK4CCND1
SCHEMBL29921084 0.87 TTK (0.64) CHEK1KDRFGFR1CDK4CCND1
SCHEMBL3713185 0.86 KDR (0.62) CHEK1KDRFGFR1CDK4CCND1
SCHEMBL3713181 0.86 KDR (0.62) CHEK1KDRFGFR1CDK4CCND1
SCHEMBL585921 0.85 TTK (0.63) CHEK1KDRFGFR1CDK4CCND1
SCHEMBL585920 0.85 TTK (0.63) CHEK1KDRFGFR1CDK4CCND1
SCHEMBL3716235 0.83 CHEK1 (0.64) CHEK1KDRFGFR1CDK2LCK
SCHEMBL3716237 0.83 CHEK1 (0.64) CHEK1KDRFGFR1CDK2LCK

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
CN-101970426-A Indazolyl-, benzimidazolyl-, benzotriazolyl-substituted indolinone derivatives as kinase inhibitors useful in the treatment of cancer UNIV HEALTH NETWORK 2011-02-09 CN 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 CHEK1 97/4885KDR 679/4885FGFR1 84/4885

“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.