SCHEMBL3712945

SCHEMBL3712945

O=C1Nc2ccccc2/C1=C\c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.58
CHEK1 O14757 2/20 0.51
KDR P35968 5/20 0.47
PLK4 O00444 4/20 0.45
PLK1 P53350 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
PDGFRB P09619 4/20 0.45
RET P07949 3/20 0.45
FLT3 P36888 2/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
CSF1R P07333 3/20 0.44
KIT P10721 3/20 0.44
PDGFRA P16234 3/20 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
SCHEMBL3795730 1.00 GSK3B (0.58) GSK3BCHEK1KDRPLK4PLK1
SCHEMBL3712948 1.00 GSK3B (0.58) GSK3BCHEK1KDRPLK4PLK1
SCHEMBL3408038 1.00 GSK3B (0.58) GSK3BCHEK1KDRPLK4PLK1
SCHEMBL6533149 0.91 MAPT (0.49) GSK3BCHEK1KDRPLK4PLK1
SCHEMBL12795260 0.91 GSK3B (0.48) GSK3BCHEK1KDRPLK4MAPT
SCHEMBL6533146 0.91 MAPT (0.49) GSK3BCHEK1KDRPLK4PLK1
SCHEMBL12795313 0.91 MAPT (0.49) GSK3BCHEK1KDRPLK4PLK1
SCHEMBL6523915 0.89 CHEK1 (0.50) GSK3BCHEK1KDRPLK4MAPT
SCHEMBL6523924 0.89 CHEK1 (0.50) GSK3BCHEK1KDRPLK4MAPT
SCHEMBL6531026 0.88 TLK2 (0.48) GSK3BCHEK1KDRPLK4MAPT

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 7 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-20130123273-A1 METHODS OF TARGETING PTEN MUTANT DISEASES AND COMPOSITIONS THEREFOR UNIVERSITY HEALTH NETWORK (CA) 2013-05-16 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 (2 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-20130123273-A1 METHODS OF TARGETING PTEN MUTANT DISEASES AND COMPOSITIONS THEREFOR PTEN, PIK3CA, HRAS GSK3B 141/4885CHEK1 360/4885KDR 656/4885
US-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER TNNI3K, ABL1, TK1 GSK3B 621/4885CHEK1 97/4885KDR 679/4885

“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.