SCHEMBL4447731

SCHEMBL4447731

NC(=O)c1ccc(-c2ccnc(F)c2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.46
CAPN1 P07384 2/20 0.42
GSK3B P49841 2/20 0.41
MAPK14 Q16539 1/20 0.41
KMO O15229 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
CHUK O15111 1/20 0.40
S1PR1 P21453 1/20 0.39
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
PIK3CB P42338 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDC7 O00311 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
CASP1 P29466 1/20 0.37
CDK9 P50750 1/20 0.37
CES2 O00748 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL4443151 0.85 GPR52 (0.45) KMOGPR52MKNK1MKNK2CHUK
SCHEMBL4448921 0.84 CHUK (0.58) CAPN1GSK3BGPR52MKNK1MKNK2
SCHEMBL5105678 0.83 MAP4K4 (0.43) GPR52MKNK1MKNK2CASP1CES2
Hydrochloric Acid SCHEMBL4439147 0.82 CHUK (0.56) CAPN1GSK3BGPR52MKNK1MKNK2
SCHEMBL27261123 0.79 MKNK1 (0.57) AAK1CAPN1GPR52MKNK1MKNK2
SCHEMBL4447733 0.77 AAK1 (0.50) AAK1S1PR1MAP4K4
SCHEMBL30131558 0.77 IKBKB (0.56) GSK3BGPR52MKNK2CDC7CES2
SCHEMBL4442113 0.77 PDK2 (0.45) GPR52MKNK1MKNK2CHUKCASP1
SCHEMBL4442762 0.76 MKNK1 (0.66) KMOMKNK1MKNK2
SCHEMBL4447715 0.76 CYP11B2 (0.47) GPR52MKNK1MKNK2MAP4K4

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 AAK1 3703/4885CAPN1 377/4885GSK3B 3844/4885

“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.