SCHEMBL204156

SCHEMBL204156

CC(C#N)(Cn1nc2c(Cl)cc(Cl)c(Cl)c2n1)NC(=S)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
DUSP3 P51452 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL205330 0.91 MRGPRX4 (0.32) MRGPRX4ADORA3DUSP3ALDH1A1HTT
SCHEMBL203025 0.91 MRGPRX4 (0.32) MRGPRX4ADORA3DUSP3
SCHEMBL3602924 0.89 ADORA3 (0.39) MRGPRX4ADORA3ALDH1A1HTTNPC1
SCHEMBL204090 0.88 MRGPRX4 (0.34) MRGPRX4ADORA3ALDH1A1HTTSMN1; SMN2
SCHEMBL203080 0.87 ADORA3 (0.32) MRGPRX4ADORA3
SCHEMBL203001 0.86 MRGPRX4 (0.34) MRGPRX4ADORA3DUSP3ALDH1A1HTT
SCHEMBL204233 0.85 MRGPRX4 (0.32) MRGPRX4ADORA3ALDH1A1
SCHEMBL202965 0.84 ADORA3 (0.39) MRGPRX4ADORA3
SCHEMBL203397 0.84 MRGPRX4 (0.31) MRGPRX4ADORA3
SCHEMBL203660 0.84 NR1H2 (0.32) MRGPRX4ADORA3ALDH1A1HTTLMNA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3428148-B1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-07-08 EP disclosed
EP-3498696-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARASITICIDAL COMPOUNDS Merial, Inc. (US) 2019-06-19 EP disclosed
EP-3428148-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF Merial, Inc. (US) 2019-01-16 EP disclosed
EP-3050874-B1 ENANTIOMERIALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL INC (US) 2019-01-09 EP disclosed
EP-3088384-B1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL INC (US) 2018-12-12 EP disclosed
WO-2010056999-A9 ENANTIOMERICALLY ENRICHED ARYLOAZOL- 2 -YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL LIMITED (US) 2018-06-07 WO disclosed
EP-3088384-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF Merial, Inc. (US) 2016-11-02 EP disclosed
EP-2155699-B9 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL INC (US) 2016-09-14 EP disclosed
EP-3050874-A1 ENANTIOMERIALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS Merial, Inc. (US) 2016-08-03 EP disclosed
EP-2639228-B1 Aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL INC (US) 2016-07-13 EP disclosed
US-8314146-B2 Thioamide compounds, method of making and method of using thereof MERIAL LIMITED (US) 2012-11-20 US disclosed
US-8283475-B2 Aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL LIMITED (US) 2012-10-09 US disclosed
EP-2358687-B1 Thioamide compounds, method of making and method of using thereof MERIAL LTD (US) 2012-09-19 EP disclosed
US-20120149750-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2012-06-14 US disclosed
US-8088801-B2 Aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL LIMITED (US) 2012-01-03 US disclosed
US-20110190231-A1 THIOAMIDE COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2011-08-04 US disclosed
US-7964621-B2 Thioamide compounds, method of making and method of using thereof MERIAL LIMITED (US) 2011-06-21 US disclosed
US-20100130565-A1 THIOAMIDE COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2010-05-27 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
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2008-12-18 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 (5 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-20120149750-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR MRGPRX4 1520/4885ADORA3 354/4885DUSP3 3970/4885
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR MRGPRX4 1520/4885ADORA3 354/4885DUSP3 3970/4885
US-20100130565-A1 THIOAMIDE COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF TST, TMT1A, TPMT MRGPRX4 945/4885ADORA3 367/4885DUSP3 4491/4885
US-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4B1, NPY4R, CYP4X1 MRGPRX4 1222/4885ADORA3 115/4885DUSP3 3063/4885
US-20110190231-A1 THIOAMIDE COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF TST, TMT1A, TPMT MRGPRX4 945/4885ADORA3 367/4885DUSP3 4491/4885

“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.