SCHEMBL3608086

SCHEMBL3608086

CC(C#N)(Cn1cc2c(Cl)cc(Cl)c(Cl)c2n1)NC(=O)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
HTT P42858 2/20 0.35
SMO Q99835 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
CRHR1 P34998 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
AR P10275 2/20 0.33
NTRK1 P04629 2/20 0.33
SLC6A9 P48067 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
NTRK2 Q16620 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
DDR1 Q08345 1/20 0.33

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
SCHEMBL3606106 0.91 ADORA3 (0.37) ADORA3ADORA2AADORA1AR
SCHEMBL3606093 0.89 ADORA3 (0.47) ADORA3PTGDR2HTTADORA2AADORA1
SCHEMBL3597133 0.85 SMO (0.37) PTGDR2HTTSMOKDM4ERXFP1
SCHEMBL3597503 0.83 KCNQ3 (0.38) ADORA3ADORA2AADORA1ARNTRK1
SCHEMBL3601702 0.83 MAPK1 (0.39) ADORA3ADORA2AADORA1AR
SCHEMBL202965 0.81 ADORA3 (0.39) ADORA3ADORA2AADORA1ARMRGPRX4
SCHEMBL3596137 0.81 ADORA3 (0.37) ADORA3ADORA2AADORA1AR
SCHEMBL3600989 0.81 ADORA3 (0.37) ADORA3ADORA2AADORA1AR
SCHEMBL22047607 0.80 ADORA3 (0.37) ADORA3ADORA2AADORA1TRPV1AR
SCHEMBL203103 0.80 TRPV1 (0.39) ADORA3ADORA2AADORA1TRPV1

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 ADORA3 115/4885PTGDR2 3264/4885HTT 1528/4885

“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.