SCHEMBL13054836

SCHEMBL13054836

O=c1[nH][nH]c2cc(C3CC3c3nc(Nc4n[nH]c5ccccc45)c4ccccc4n3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.38
PAK4 O96013 10/20 0.38
FADS1 O60427 2/20 0.36
ADRA2A P08913 2/20 0.34
TRPA1 O75762 1/20 0.34
GRM4 Q14833 2/20 0.34
PDE5A O76074 1/20 0.34
ALOX5 P09917 1/20 0.33

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
SCHEMBL13054842 0.92 GSK3A (0.39) PAK4FADS1
SCHEMBL13054835 0.88 PAK4 (0.35) PAK4FADS1PDE5A
SCHEMBL13054848 0.84 AURKA (0.49) AURKA
SCHEMBL2205261 0.84 ADRA2A (0.45) AURKAPAK4FADS1ADRA2ATRPA1
SCHEMBL3760902 0.77 GRM4 (0.46) AURKAPAK4FADS1TRPA1GRM4
SCHEMBL2204038 0.76 GSK3A (0.45) PAK4FADS1PDE5A
SCHEMBL13054589 0.76 AURKA (0.48) AURKAFADS1
SCHEMBL13054547 0.71 GRM4 (0.43) AURKAFADS1ADRA2ATRPA1GRM4
SCHEMBL13054537 0.70 FADS1 (0.46) AURKAFADS1ADRA2ATRPA1GRM4
SCHEMBL13055083 0.70 AURKA (0.39) AURKAPAK4FADS1

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 10/4885PAK4 553/4885FADS1 3226/4885

“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.