SCHEMBL6533045

SCHEMBL6533045

O=C1Nc2ccc(Br)cc2C1=Cc1ccc2c(C=Cc3cccnc3)n[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.48
TGM2 P21980 1/20 0.48
PLK4 O00444 1/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
CHEK1 O14757 2/20 0.46
RAF1 P04049 2/20 0.46
PIK3C3 Q8NEB9 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDGFRB P09619 1/20 0.43
MAP1LC3B Q9GZQ8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RPS6KA3 P51812 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL13654222 1.00 GSK3B (0.48) GSK3BTGM2PLK4MAPTMAPK1
SCHEMBL6533042 1.00 GSK3B (0.48) GSK3BTGM2PLK4MAPTMAPK1
SCHEMBL2546437 0.90 MAPT (0.62) GSK3BTGM2PLK4MAPTMAPK1
SCHEMBL2546440 0.90 MAPT (0.62) GSK3BTGM2PLK4MAPTMAPK1
SCHEMBL13654148 0.89 GSK3B (0.48) GSK3BTGM2MAPTMAPK1HTT
SCHEMBL3715070 0.89 PLK4 (0.52) PLK4CHEK1MEN1KMT2APDGFRB
SCHEMBL3715068 0.89 PLK4 (0.52) PLK4CHEK1MEN1KMT2APDGFRB
SCHEMBL12795410 0.89 PLK4 (0.52) PLK4CHEK1MEN1KMT2APDGFRB
SCHEMBL15848833 0.88 NTRK1 (0.50) GSK3BMAPTMAPK1HTTCHEK1
SCHEMBL602407 0.88 NTRK1 (0.50) GSK3BMAPTMAPK1HTTCHEK1

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 2 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

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 GSK3B 621/4885TGM2 3236/4885PLK4 464/4885

“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.