SCHEMBL202954

SCHEMBL202954

CC(=O)Cn1nnc2ccc(Cl)cc21

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.63
GAA P10253 10/20 0.54
MGAM O43451 9/20 0.54
AMY1A P0DUB6 9/20 0.54
SI P14410 9/20 0.54
MGAM2 Q2M2H8 9/20 0.54
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SLC9A1 P19634 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL204056 0.88 MGAM (0.54) KMOGAAMGAMAMY1ASI
SCHEMBL27033668 0.86 KMO (0.74) KMOGAAMGAMAMY1ASI
SCHEMBL27033558 0.82 KMO (0.56) KMOGAAMGAMAMY1ASI
SCHEMBL1689837 0.78 GAA (0.67) GAAMGAMAMY1ASIMGAM2
Ethyl Bromo Acetate SCHEMBL29174319 0.77 KMO (0.51) KMOGAAMGAMAMY1ASI
SCHEMBL11796203 0.74 KMO (0.57) KMOGAAMGAMAMY1ASI
SCHEMBL204001 0.72 KMO (0.55) KMOGAAMGAMAMY1ASI
SCHEMBL17103035 0.72 SLC9A1 (0.64) KMOGAAMGAMAMY1ASI
SCHEMBL27380658 0.71 KMO (0.57) KMOGAAMGAMAMY1ASI
SCHEMBL17103012 0.71 KMO (0.61) KMOGAAMGAMAMY1ASI

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 29 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
WO-2010056999-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL- 2 -YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL LIMITED (US) 2010-05-20 WO 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
EP-2155699-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF Merial Limited (US) 2010-02-24 EP disclosed
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2008-12-18 US disclosed
WO-2008144275-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2008-11-27 WO disclosed
EP-1539719-B1 BENZOTRIAZOL-1-YLAMINO-ACETONITRILE COMPOUNDS AND THE USE THEREOF IN PEST CONTROL NOVARTIS AG (CH) 2007-08-15 EP disclosed
US-7084280-B2 Benzotriazol-1-yl-aminoacetonitrile compounds and their use in the control of parasite disease NOVARTIS ANIMAL HEALTH US, INC. 2006-08-01 US disclosed
US-20050272935-A1 Organic compounds NOVARTIS ANIMAL HEALTH US, INC. 2005-12-08 US disclosed
EP-1539719-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2005-06-15 EP disclosed
WO-2004024704-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2004-03-25 WO 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 (3 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-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR KMO 16/4885GAA 1853/4885MGAM 2748/4885
US-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4B1, NPY4R, CYP4X1 KMO 95/4885GAA 2591/4885MGAM 3356/4885
US-20050272935-A1 Organic compounds ACHE, DDT, TYR KMO 682/4885GAA 2198/4885MGAM 798/4885

“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.