SCHEMBL4447733

SCHEMBL4447733

Nc1ccc(-c2ccnc(F)c2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.50
S1PR1 P21453 2/20 0.43
KIF11 P52732 1/20 0.41
MPL P40238 3/20 0.41
ADORA2B P29275 3/20 0.40
PIK3CD O00329 1/20 0.39
MAP4K4 O95819 2/20 0.38
MINK1 Q8N4C8 2/20 0.38
TNIK Q9UKE5 2/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
IDO1 P14902 1/20 0.38
ADORA2A P29274 2/20 0.38
NOS3 P29474 1/20 0.37
NOS2 P35228 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
SCHEMBL4443159 0.83 KIF11 (0.43) AAK1KIF11MPLPIK3CD
SCHEMBL29403371 0.82 KIF11 (0.50) KIF11MPLPIK3CD
SCHEMBL349356 0.82 KIF11 (0.50) KIF11MPLPIK3CD
SCHEMBL2924757 0.81 KIF11 (0.53) AAK1S1PR1KIF11MPLPIK3CD
SCHEMBL5105685 0.80 PIK3CD (0.49) KIF11MPLPIK3CD
Hydrochloric Acid SCHEMBL8644024 0.80 KIF11 (0.48) KIF11MPLPIK3CD
Hydrochloric Acid SCHEMBL4439149 0.79 KIF11 (0.52) AAK1S1PR1KIF11MPLPIK3CD
SCHEMBL4447731 0.77 AAK1 (0.46) AAK1S1PR1MAP4K4
SCHEMBL24197382 0.76 PIK3CD (0.41) S1PR1KIF11MPLPIK3CDNOS3
SCHEMBL22068158 0.75 IDO1 (0.55) S1PR1ADORA2BMAP4K4MINK1TNIK

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 3703/4885S1PR1 1218/4885KIF11 4436/4885

“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.