SCHEMBL4443149

SCHEMBL4443149

COc1ccc(-c2ccc(N)c(C(F)(F)F)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.49
PIK3CA P42336 2/20 0.49
PIP5K1C O60331 1/20 0.49
PIK3CB P42338 1/20 0.49
PI4KA P42356 1/20 0.49
PIK3CG P48736 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
FYN P06241 1/20 0.45
CYP2A6 P11509 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
KDR P35968 2/20 0.42
RIOK2 Q9BVS4 3/20 0.41

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
SCHEMBL5117193 0.84 FTO (0.48) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18985672 0.81 PIK3CA (0.56) PIK3CDPIK3CAPIP5K1CPIK3CBPI4KA
SCHEMBL24195783 0.80 ERN1 (0.53) PIK3CDPIK3CAPIP5K1CPIK3CBPI4KA
SCHEMBL4443146 0.80 MKNK1 (0.57) HSD17B1HSD17B2MKNK1MKNK2KDR
SCHEMBL5105685 0.78 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL26458823 0.78 RPS6KA3 (0.46) PIK3CDPIK3CAPIP5K1CPIK3CBPI4KA
SCHEMBL3082554 0.77 PIK3CA (0.52) PIK3CDPIK3CAPIP5K1CPIK3CBPI4KA
SCHEMBL12492276 0.77 ALDH1A1 (0.53) PIK3CDPIK3CAPIP5K1CPIK3CBPI4KA
SCHEMBL29403371 0.77 KIF11 (0.50) PIK3CD
SCHEMBL349356 0.77 KIF11 (0.50) PIK3CD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US claimed
EP-2118062-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
WO-2008084004-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 WO disclosed
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 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-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES CMA1, ARSA, TPSAB1 PIK3CD 3864/4885PIK3CA 3633/4885PIP5K1C 4256/4885

“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.