SCHEMBL3606318

SCHEMBL3606318

CC(C#N)(Cn1cc2ncc(Cl)cc2n1)NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 7/20 0.37
S1PR1 P21453 2/20 0.37
ADORA3 P0DMS8 3/20 0.34
AR P10275 4/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
CCR9 P51686 2/20 0.31

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
SCHEMBL3607899 0.91 AR (0.34) S1PR3S1PR1ADORA3ARCNR1
SCHEMBL205197 0.85 ABL1 (0.41)
SCHEMBL205473 0.83 S1PR3 (0.35) S1PR3S1PR1ARCNR1CNR2
SCHEMBL3589888 0.80 S1PR3 (0.37) S1PR3S1PR1ADORA3ARADORA2A
SCHEMBL204149 0.79 S1PR3 (0.33) S1PR3S1PR1ADORA3ARCNR2
SCHEMBL3592328 0.79 ADORA3 (0.39) ADORA3AR
SCHEMBL203535 0.79 ADORA3 (0.35) S1PR3S1PR1ADORA3ARCCR9
SCHEMBL203562 0.77 LMNA (0.34) ARCNR1CNR2MEN1KMT2A
SCHEMBL204620 0.77 AR (0.37) S1PR1ADORA3ARCNR1CNR2
SCHEMBL204160 0.77 EPHX2 (0.35) S1PR3S1PR1AR

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-3498696-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARASITICIDAL COMPOUNDS Merial, Inc. (US) 2019-06-19 EP disclosed
EP-3050874-B1 ENANTIOMERIALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL INC (US) 2019-01-09 EP disclosed
WO-2010056999-A9 ENANTIOMERICALLY ENRICHED ARYLOAZOL- 2 -YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL LIMITED (US) 2018-06-07 WO disclosed
EP-3050874-A1 ENANTIOMERIALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS Merial, Inc. (US) 2016-08-03 EP disclosed
EP-2364301-B1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL LTD (US) 2015-09-02 EP disclosed
US-8461176-B2 Enantiomerically enriched aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL LIMITED (US) 2013-06-11 US disclosed
US-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2010-05-20 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-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4B1, NPY4R, CYP4X1 S1PR3 1537/4885S1PR1 3234/4885ADORA3 115/4885

“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.