SCHEMBL16894243

SCHEMBL16894243

N#Cc1cc(N2CCC(F)(F)CC2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.45
GPR119 Q8TDV5 1/20 0.44
CHEK1 O14757 2/20 0.42
RIPK1 Q13546 2/20 0.42
LRRK2 Q5S007 10/20 0.41
CHEK2 O96017 1/20 0.40
KCNJ1 P48048 1/20 0.40
IRAK4 Q9NWZ3 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
SCHEMBL27162446 0.84 GPR119 (0.48) P4HTMGPR119CHEK1RIPK1CHEK2
SCHEMBL29324694 0.80 SMN1; SMN2 (0.49) P4HTMGPR119CHEK1RIPK1CHEK2
SCHEMBL27226303 0.78 KDR (0.53) GPR119CHEK1RIPK1
SCHEMBL16894257 0.76 OGA (0.43) P4HTMLRRK2
SCHEMBL16906683 0.76 LRRK2 (0.43) LRRK2
SCHEMBL16635426 0.75 GPR119 (0.53) GPR119CHEK1RIPK1CHEK2
SCHEMBL16903679 0.73 LRRK2 (0.44) LRRK2
SCHEMBL27226900 0.73 GPR119 (0.54) GPR119CHEK1RIPK1CHEK2KCNJ1
SCHEMBL16635471 0.73 SCN10A (0.40) P4HTMCHEK1LRRK2IRAK4
SCHEMBL22638919 0.73 GPR119 (0.41) P4HTMGPR119CHEK1RIPK1CHEK2

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-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
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
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
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 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-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS TRPA1, TRPV1, TRPV5 P4HTM 1031/4885GPR119 482/4885CHEK1 3387/4885

“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.