SCHEMBL3760902

SCHEMBL3760902

O=c1[nH][nH]c2cc(Nc3nc(Nc4n[nH]c5ccccc45)c4ccccc4n3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.46
NPY5R Q15761 4/20 0.45
AURKA O14965 2/20 0.45
SRC P12931 1/20 0.45
GSK3B P49841 1/20 0.45
FADS1 O60427 2/20 0.45
ULK1 O75385 4/20 0.42
PDK1 Q15118 1/20 0.42
ULK2 Q8IYT8 1/20 0.42
TRPA1 O75762 1/20 0.42
PAK4 O96013 1/20 0.42

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
SCHEMBL13054479 0.89 NPY5R (0.57) NPY5RAURKASRCGSK3BULK1
SCHEMBL13054513 0.89 AURKA (0.43) GRM4NPY5RAURKASRCGSK3B
SCHEMBL13054502 0.88 AURKA (0.40) NPY5RAURKASRCGSK3BFADS1
SCHEMBL3757445 0.83 AURKA (0.47) NPY5RAURKASRCGSK3BULK1
SCHEMBL13054452 0.83 AURKA (0.70) AURKASRCGSK3BPAK4
SCHEMBL13054547 0.82 GRM4 (0.43) GRM4AURKAFADS1ULK1TRPA1
SCHEMBL13054537 0.82 FADS1 (0.46) GRM4AURKAFADS1ULK1TRPA1
SCHEMBL2206804 0.82 NPY5R (0.68) NPY5RAURKASRCGSK3BFADS1
SCHEMBL13081593 0.81 AURKA (0.53) AURKASRCGSK3BULK1PDK1
SCHEMBL13054451 0.81 AURKA (0.53) NPY5RAURKASRCGSK3BULK1

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 11 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-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-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
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed
US-20040167121-A1 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
WO-2004037814-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-06 WO 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 (2 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-20040167121-A1 Indazolinone compositions useful as kinase inhibitors LCK, CDK2, CILK1 GRM4 4740/4885NPY5R 2973/4885AURKA 7/4885
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 GRM4 4697/4885NPY5R 2946/4885AURKA 10/4885

“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.