SCHEMBL13054569

SCHEMBL13054569

O=c1[nH][nH]c2cc(Sc3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)ccc12

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.65
SRC P12931 8/20 0.65
AURKB Q96GD4 8/20 0.65
AURKA O14965 9/20 0.52
ULK1 O75385 1/20 0.52
PAK4 O96013 1/20 0.52
PAK1 Q13153 1/20 0.52
NTRK1 P04629 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
AURKC Q9UQB9 1/20 0.47

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
SCHEMBL14423346 0.86 SRC (0.49) GSK3BSRCAURKBAURKAULK1
SCHEMBL13054597 0.86 SRC (0.49) GSK3BSRCAURKBAURKAPAK4
SCHEMBL13054568 0.85 AURKA (0.72) GSK3BSRCAURKBAURKAAURKC
SCHEMBL12430534 0.85 GSK3B (0.71) GSK3BSRCAURKBAURKAULK1
SCHEMBL13054711 0.85 SRC (0.47) GSK3BSRCAURKBULK1PAK4
SCHEMBL12430527 0.85 GSK3B (0.76) GSK3BSRCAURKBAURKAULK1
SCHEMBL13054580 0.84 AURKB (0.49) GSK3BSRCAURKBAURKAULK1
SCHEMBL13054704 0.84 SRC (0.46) GSK3BSRCAURKBULK1PAK4
SCHEMBL13054590 0.83 IGF1R (0.47) GSK3BSRCAURKBAURKANTRK1
SCHEMBL12430548 0.83 GSK3B (0.70) GSK3BSRCAURKBAURKAULK1

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-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 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-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 GSK3B 28/4885SRC 99/4885AURKB 18/4885

“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.