SCHEMBL13054537

SCHEMBL13054537

O=c1[nH][nH]c2cc(Nc3cc4ccccc4c(Nc4n[nH]c5ccccc45)n3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 2/20 0.46
GRM4 Q14833 8/20 0.44
TRPA1 O75762 1/20 0.43
CYP1A2 P05177 1/20 0.40
AURKA O14965 2/20 0.39
ALOX5 P09917 1/20 0.38
ADRA2A P08913 2/20 0.36
EGFR P00533 1/20 0.35
AURKB Q96GD4 1/20 0.35
ULK1 O75385 1/20 0.35
DAO P14920 1/20 0.35
MAPK10 P53779 1/20 0.34
MAPK14 Q16539 1/20 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
SCHEMBL13054543 0.86 FADS1 (0.48) FADS1GRM4TRPA1CYP1A2AURKA
SCHEMBL13054547 0.83 GRM4 (0.43) FADS1GRM4TRPA1CYP1A2AURKA
SCHEMBL3760902 0.82 GRM4 (0.46) FADS1GRM4TRPA1AURKAULK1
SCHEMBL13054538 0.82 GRM4 (0.47) FADS1GRM4TRPA1CYP1A2ALOX5
SCHEMBL12431087 0.81 GRM4 (0.51) FADS1GRM4TRPA1CYP1A2EGFR
SCHEMBL13054536 0.80 ULK1 (0.48) AURKBULK1
SCHEMBL13054777 0.79 FADS1 (0.39) FADS1GRM4TRPA1CYP1A2AURKA
SCHEMBL13054716 0.79 FADS1 (0.39) FADS1GRM4TRPA1CYP1A2AURKA
SCHEMBL13054589 0.72 AURKA (0.48) FADS1AURKAAURKB
SCHEMBL13054513 0.71 AURKA (0.43) GRM4CYP1A2AURKAULK1

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 FADS1 3226/4885GRM4 4697/4885TRPA1 4223/4885

“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.