SCHEMBL3597367

SCHEMBL3597367

CC(C#N)(Cn1cc2ncccc2n1)NC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.42
TRPV1 Q8NER1 4/20 0.41
MTOR P42345 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
ABL1 P00519 1/20 0.36
PTGER4 P35408 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
PDE2A O00408 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL205197 0.86 ABL1 (0.41) TLR7TRPV1MTORSMN1; SMN2EPHX2
SCHEMBL3594702 0.85 ABL1 (0.38) TLR7TRPV1MEN1HTTKMT2A
SCHEMBL203113 0.85 ABL1 (0.38) TLR7TRPV1MEN1HTTKMT2A
SCHEMBL3588461 0.85 ABL1 (0.38) TLR7TRPV1MTORMEN1HTT
SCHEMBL13343058 0.85 ABL1 (0.38) TLR7TRPV1MEN1HTTKMT2A
SCHEMBL3603756 0.85 ADORA3 (0.39) TLR7TRPV1MTORMEN1HTT
SCHEMBL204791 0.84 MTOR (0.46) TLR7TRPV1MTORSMN1; SMN2EPHX2
SCHEMBL3596132 0.81 AR (0.36) TRPV1MTORSMN1; SMN2EPHX2NR1H4
SCHEMBL203572 0.81 TRPV1 (0.42) TRPV1MTOREPHX2NR1H4TRPM8
SCHEMBL3596543 0.81 ABL1 (0.38) TLR7TRPV1MTORMEN1HTT

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 TLR7 3257/4885TRPV1 4269/4885MTOR 4243/4885

“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.