SCHEMBL3349140

SCHEMBL3349140

FC(F)(F)c1ccc(/C=C/c2cnc3[nH]ccc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
AHR P35869 1/20 0.43
PTGS1 P23219 1/20 0.43
RIPK1 Q13546 1/20 0.43
CDK8 P49336 4/20 0.42
CHRNA7 P36544 1/20 0.42
NQO2 P16083 1/20 0.42
ULK1 O75385 3/20 0.41
MTOR P42345 1/20 0.41
AXL P30530 1/20 0.41
TNIK Q9UKE5 1/20 0.40

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
SCHEMBL3349147 1.00 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGAHR
SCHEMBL14702331 0.80 CDK8 (0.58) PIK3CDPIK3CAPIK3CBPIK3CGRIPK1
SCHEMBL298532 0.78 CDK8 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGRIPK1
SCHEMBL27943918 0.78 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGRIPK1
SCHEMBL30375749 0.76 CYP2A6 (0.53) AHRPTGS1NQO2
SCHEMBL31152348 0.72 CDK8 (0.63) PIK3CDPIK3CAPIK3CBPIK3CGRIPK1
SCHEMBL299270 0.72 CDK8 (0.63) PIK3CDPIK3CAPIK3CBPIK3CGRIPK1
SCHEMBL12459720 0.72 CDK8 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGRIPK1
SCHEMBL16026877 0.71 RAB9A (0.56) PIK3CDPIK3CAPIK3CBPIK3CGRIPK1
SCHEMBL16026878 0.71 RAB9A (0.56) PIK3CDPIK3CAPIK3CBPIK3CGRIPK1

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
EP-1633750-B1 SYNTHESIS OF 5-SUBSTITUTED 7-AZAINDOLES AND 7-AZAINDOLINES EISAI R&D MAN CO LTD (JP) 2010-12-01 EP disclosed
EP-1633750-B1 SYNTHESIS OF 5-SUBSTITUTED 7-AZAINDOLES AND 7-AZAINDOLINES EISAI R&D MAN CO LTD (JP) 2010-12-01 EP disclosed
US-7652137-B2 Substitued azaindoline intermediate for use in the manufacture of 5-substituted 7-azaindolines and 5-substituted 7-azaindoles; pharmaceutical intermediates EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-26 US disclosed
US-7652137-B2 Substitued azaindoline intermediate for use in the manufacture of 5-substituted 7-azaindolines and 5-substituted 7-azaindoles; pharmaceutical intermediates EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-26 US disclosed
US-7652137-B2 Substitued azaindoline intermediate for use in the manufacture of 5-substituted 7-azaindolines and 5-substituted 7-azaindoles; pharmaceutical intermediates EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-26 US disclosed
US-20060235042-A1 Synthesis EISAI CO., LTD. (JP) 2006-10-19 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-20060235042-A1 Synthesis AZI2, CYP3A5, CYP3A7 PIK3CD 1329/4885PIK3CA 1933/4885PIK3CB 1714/4885

“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.