SCHEMBL3607899

SCHEMBL3607899

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.34
S1PR3 Q99500 3/20 0.32
S1PR1 P21453 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
PGR P06401 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TRPV3 Q8NET8 1/20 0.30
MAP3K5 Q99683 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
ADORA3 P0DMS8 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
SCHEMBL3606318 0.91 S1PR3 (0.37) ARS1PR3S1PR1CNR1CNR2
SCHEMBL3592328 0.89 ADORA3 (0.39) ARPGRMAP3K5ADORA3
SCHEMBL3589888 0.87 S1PR3 (0.37) ARS1PR3S1PR1ADORA3
SCHEMBL3602899 0.86 AR (0.31) ARS1PR3S1PR1PGRMAP3K5
SCHEMBL13343058 0.85 ABL1 (0.38) ARHTTCNR1CNR2
SCHEMBL203113 0.85 ABL1 (0.38) ARHTTCNR1CNR2
SCHEMBL3594702 0.85 ABL1 (0.38) ARHTTCNR1CNR2
SCHEMBL3595880 0.84 CTSL (0.38) AR
SCHEMBL3595567 0.82 EGLN2 (0.36)
SCHEMBL204670 0.79 AR (0.32) ARPGRADORA3

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 AR 1241/4885S1PR3 1537/4885S1PR1 3234/4885

“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.