SCHEMBL13054877

SCHEMBL13054877

CCc1cc(Nc2cc(C)[nH]n2)nc(C2(c3ccc4c(=O)[nH][nH]c4c3)CCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.36
AURKB Q96GD4 8/20 0.36
ALOX5AP P20292 2/20 0.34
RET P07949 6/20 0.33
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
PLK4 O00444 1/20 0.32
PAK4 O96013 1/20 0.32
JAK1 P23458 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL13054875 0.85 AURKA (0.39) AURKAAURKBRET
SCHEMBL12430978 0.81 PAK4 (0.43) AURKAAURKBRETTYK2JAK3
SCHEMBL13054535 0.77 PIK3C3 (0.42) AURKAAURKBPLK4PAK4
SCHEMBL13054828 0.76 AURKA (0.49) AURKAAURKB
SCHEMBL13054870 0.75 AURKA (0.36) AURKAAURKBTYK2JAK3PLK4
SCHEMBL13055172 0.72 RET (0.40) AURKAAURKBRET
SCHEMBL13054861 0.69 AURKA (0.39) AURKAAURKBRETCYP1A2CYP3A4
SCHEMBL13054856 0.69 AURKB (0.40) AURKAAURKB
SCHEMBL13054868 0.68 AURKA (0.44) AURKAAURKBRET
SCHEMBL13054529 0.67 AURKA (0.42) AURKAAURKB

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 AURKA 10/4885AURKB 18/4885ALOX5AP 2756/4885

“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.