SCHEMBL3587065

SCHEMBL3587065

CC(=O)Cn1cc2nc(Br)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.36
EPHX2 P34913 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MITF O75030 1/20 0.33
S1PR4 O95977 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
S1PR1 P21453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE4D Q08499 1/20 0.32
ALPL P05186 1/20 0.30
PLAA Q9Y263 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
DYRK1A Q13627 1/20 0.30
CUL4A Q13619 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
SCHEMBL3590477 0.77 EPHX2 (0.36) IRAK4EPHX2NPC1RAB9AMITF
SCHEMBL3605059 0.73 GABRP (0.42) ALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL2366240 0.73 PDE4D (0.35) IRAK4EPHX2NPC1RAB9AMITF
SCHEMBL3591496 0.73 PDE4D (0.36) IRAK4EPHX2NPC1RAB9AMITF
SCHEMBL13216653 0.72 KLKB1 (0.41) IRAK4ALDH1A1CYP1A2DYRK1A
SCHEMBL202906 0.71 RAB9A (0.35) EPHX2NPC1RAB9AMITFS1PR4
SCHEMBL24165627 0.69 KDM4E (0.40) ALDH1A1MAPT
SCHEMBL13692145 0.68 EPHX2 (0.45) EPHX2NPC1RAB9AMITFS1PR4
SCHEMBL2366437 0.68 NPC1 (0.38) EPHX2NPC1RAB9AMITFS1PR4
SCHEMBL205637 0.67 MAPT (0.49) IRAK4NPC1RAB9AALDH1A1MAPT

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 IRAK4 2013/4885EPHX2 199/4885NPC1 3902/4885

“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.