SCHEMBL18018441

SCHEMBL18018441

Nc1nc(-c2cnc(C(F)(F)F)nc2)ncc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
MTOR P42345 4/20 0.35
ULK1 O75385 2/20 0.35
DHFR P00374 1/20 0.34
DPP4 P27487 1/20 0.34
FGFR3 P22607 2/20 0.34
PIK3CD O00329 2/20 0.33
MBOAT4 Q96T53 1/20 0.33
PIK3CA P42336 4/20 0.32
MAP4K4 O95819 1/20 0.31
TKT P29401 1/20 0.31
ATR Q13535 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MAP3K12 Q12852 1/20 0.30
PIK3C2B O00750 1/20 0.30
PIK3R1 P27986 1/20 0.30

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
SCHEMBL18069517 0.82 MBOAT4 (0.38) KDRAURKAAURKBMTORULK1
SCHEMBL18068206 0.81 TKT (0.35) KDRDHFRFGFR3PIK3CAMAP4K4
SCHEMBL2722618 0.79 DPP4 (0.49) KDRDPP4FGFR3ATRNPC1
SCHEMBL17979093 0.79 PIK3CD (0.36) PIK3CDMBOAT4PIK3CANPC1RAB9A
SCHEMBL18018457 0.79 DPP4 (0.32) DPP4PIK3CD
Hydrochloric Acid SCHEMBL18047777 0.78 DPP4 (0.32) DPP4PIK3CD
SCHEMBL179371 0.73 AURKA (0.41) KDRAURKAAURKBULK1MBOAT4
SCHEMBL28447697 0.72 NOS3 (0.38) KDRDHFRFGFR3PIK3CD
SCHEMBL1491751 0.71 AURKA (0.42) KDRAURKAAURKBULK1DHFR
SCHEMBL29583158 0.71 AURKA (0.42) KDRAURKAAURKBULK1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256463-B1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2019-10-09 EP disclosed
EP-3256463-B1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2019-10-09 EP disclosed
US-10179782-B2 Substituted sulfonamide compounds GENENTECH, INC. (US) 2019-01-15 US disclosed
US-10179782-B2 Substituted sulfonamide compounds GENENTECH, INC. (US) 2019-01-15 US disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 US disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 US disclosed
WO-2016128529-A1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2016-08-18 WO 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 (2 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-10179782-B2 Substituted sulfonamide compounds TRPA1, TRPV1, TRPV5 KDR 4266/4885AURKA 4477/4885AURKB 4647/4885
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS TRPA1, TRPV1, TRPV5 KDR 4266/4885AURKA 4477/4885AURKB 4647/4885

“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.