SCHEMBL893755

SCHEMBL893755

N#Cc1cc(-c2ccc(C(F)(F)F)cc2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.56
KIF11 P52732 1/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
CTSS P25774 2/20 0.45
CTSK P43235 1/20 0.45
TRPV1 Q8NER1 3/20 0.44
FAAH O00519 1/20 0.42
DGAT1 O75907 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
SCHEMBL4717327 0.82 ABL1 (0.57) KIF11ABL1BCRTRPV1FAAH
SCHEMBL16635303 0.81 KMO (0.54) KMOABL1BCRFAAH
SCHEMBL18223974 0.81 KMO (0.43) KMOKIF11CTSSDGAT1
SCHEMBL29411236 0.80 KMO (0.52) KMOABL1BCR
SCHEMBL16894281 0.80 KMO (0.52) KMOABL1BCR
SCHEMBL16635474 0.79 KMO (0.55) KMOKIF11CTSSFAAH
SCHEMBL16635657 0.79 FEN1 (0.46) KMOCTSS
SCHEMBL17393492 0.78 KMO (0.40) KMOCTSSCTSKDGAT1
SCHEMBL1514672 0.78 KMO (0.60) KMO
SCHEMBL16635377 0.77 KMO (0.49) KMOCTSSDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 US disclosed
EP-2900642-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-08-05 EP disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 US disclosed
CN-104684899-A Substituted sulfonamide compounds HOFFMANN LA ROCHE 2015-06-03 CN disclosed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS TRPA1, TRPV1, TRPV5 KMO 1516/4885KIF11 4131/4885ABL1 1402/4885
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 KMO 1781/4885KIF11 4303/4885ABL1 3488/4885

“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.