SCHEMBL13055166

SCHEMBL13055166

COCc1cc(Nc2n[nH]c3ccccc23)nc(-c2ccc3[nH][nH]c(=O)c3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
BLM P54132 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 3/20 0.38
GRM4 Q14833 1/20 0.37
CDC7 O00311 4/20 0.36
AURKA O14965 2/20 0.35
AURKB Q96GD4 2/20 0.35
CDK7 P50613 5/20 0.34
DAPK3 O43293 3/20 0.34
PAK4 O96013 3/20 0.34
CDK2 P24941 3/20 0.34
CLK2 P49760 3/20 0.34
PRKX P51817 3/20 0.34
CDK5 Q00535 3/20 0.34
CAMK2D Q13557 3/20 0.34
DYRK1A Q13627 3/20 0.34
MELK Q14680 3/20 0.34

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
SCHEMBL785622 0.84 MEN1 (0.56) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL801603 0.73 AURKA (0.46) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL13055172 0.71 RET (0.40) AURKAAURKBSRCRETGSK3A
SCHEMBL13055093 0.71 EGFR (0.41) EGFRGRM4AURKAROCK2ROCK1
SCHEMBL13055101 0.68 MEN1 (0.44) MEN1KMT2AALDH1A1EGFRAURKA
SCHEMBL13054694 0.67 EGFR (0.34) EGFRGRM4AURKAAURKBSRC
SCHEMBL13055057 0.67 FADS1 (0.32) EGFRGRM4AURKAAURKBLCK
SCHEMBL13055155 0.67 ABCG2 (0.44) MEN1KMT2AALDH1A1CDK7CLK2
SCHEMBL13081874 0.66 EGFR (0.34) ALDH1A1EGFRGRM4AURKAAURKB
SCHEMBL13054863 0.66 SYK (0.41) ALDH1A1AURKAAURKBSRCPLK4

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 MEN1 1366/4885KMT2A 762/4885ALDH1A1 4243/4885

“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.