SCHEMBL3603756

SCHEMBL3603756

CC(C#N)(Cn1cc2nc(Br)ccc2n1)NC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
MTOR P42345 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
PREP P48147 1/20 0.35
PDE2A O00408 1/20 0.35
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3596132 0.88 AR (0.36) ADORA3EPHX2NR1H4MTORTRPV1
SCHEMBL3600032 0.85 TRPV1 (0.36) ADORA3EPHX2NR1H4MTORTRPV1
SCHEMBL3596543 0.85 ABL1 (0.38) ADORA3ADORA2AADORA1EPHX2NR1H4
SCHEMBL3597367 0.85 TLR7 (0.42) ADORA3EPHX2NR1H4MTORTRPV1
SCHEMBL3594702 0.84 ABL1 (0.38) EPHX2NR1H4TRPV1HPGDSMN1; SMN2
SCHEMBL203113 0.84 ABL1 (0.38) EPHX2NR1H4TRPV1HPGDSMN1; SMN2
SCHEMBL13343058 0.84 ABL1 (0.38) EPHX2NR1H4TRPV1HPGDSMN1; SMN2
SCHEMBL3603968 0.82 ABL1 (0.37) ADORA3ADORA2AADORA1EPHX2NR1H4
SCHEMBL203572 0.82 TRPV1 (0.42) ADORA3EPHX2NR1H4MTORTRPV1
SCHEMBL205197 0.81 ABL1 (0.41) EPHX2NR1H4MTORTRPV1HPGD

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 115/4885ADORA2A 771/4885ADORA1 1048/4885

“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.