SCHEMBL13055191

SCHEMBL13055191

O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc(Nc4n[nH]c5ccccc45)c4cccnc4n3)cc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ TRPV1 Q8NER1 8/20 0.36
▸ MAPK3 P27361 1/20 0.36
▸ GRM4 Q14833 6/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.35
▸ FADS1 O60427 1/20 0.34
▸ PIP4K2C Q8TBX8 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ AURKA O14965 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
SCHEMBL13055199 0.85 GRM4 (0.40) GRM4FADS1
SCHEMBL10266764 0.84 PIP4K2C (0.45) PIK3CAPIK3CBPIK3CGTRPV1MAPK3
SCHEMBL13055189 0.80 FADS1 (0.40) TRPV1GRM4FADS1AURKBAURKA
SCHEMBL13055195 0.80 FADS1 (0.35) GRM4FADS1AURKBAURKA
SCHEMBL13055203 0.77 CDK7 (0.35) GRM4FADS1AURKB
SCHEMBL13055204 0.76 FADS1 (0.36) GRM4FADS1AURKB
SCHEMBL802274 0.76 PIK3CA (0.42) PIK3CAPIK3CBPIK3CGGRM4FADS1
SCHEMBL13055202 0.76 NTRK1 (0.35) TRPV1FADS1AURKBAURKA
SCHEMBL13055200 0.72 FADS1 (0.38) GRM4FADS1AURKA
SCHEMBL13055210 0.71 PIK3CA (0.35) PIK3CAFADS1AURKB

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 PIK3CA 145/4885PIK3CB 140/4885PIK3CG 170/4885

“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.

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