SCHEMBL204056

SCHEMBL204056

CC(=O)Cn1nnc2cc(Cl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGAM O43451 5/20 0.54
AMY1A P0DUB6 5/20 0.54
GAA P10253 5/20 0.54
SI P14410 5/20 0.54
MGAM2 Q2M2H8 5/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMO O15229 1/20 0.49
HCAR3 P49019 5/20 0.48
POLB P06746 1/20 0.47
KCNMA1 Q12791 2/20 0.46
NAMPT P43490 1/20 0.44
KEAP1 Q14145 2/20 0.43

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
SCHEMBL202954 0.88 KMO (0.63) MGAMAMY1AGAASIMGAM2
SCHEMBL11796203 0.86 KMO (0.57) MGAMAMY1AGAASIMGAM2
SCHEMBL1689837 0.78 GAA (0.67) MGAMAMY1AGAASIMGAM2
SCHEMBL13604173 0.77 SLC9A1 (0.49) MGAMAMY1AGAASIMGAM2
SCHEMBL12831629 0.74 PKM (0.49) MGAMAMY1AGAASIMGAM2
SCHEMBL27033668 0.74 KMO (0.74) MGAMAMY1AGAASIMGAM2
SCHEMBL203857 0.72 SLC9A1 (0.44) MGAMAMY1AGAASIMGAM2
SCHEMBL203715 0.72 MCL1 (0.44) RAB9AKMOPOLB
SCHEMBL14376786 0.72 HCAR3 (0.56) HCAR3POLBNAMPT
SCHEMBL10428731 0.71 KCNMA1 (0.61) MGAMAMY1AGAASIMGAM2

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 30 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 MGAM 2748/4885AMY1A 3444/4885GAA 1853/4885
US-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4B1, NPY4R, CYP4X1 MGAM 3356/4885AMY1A 3016/4885GAA 2591/4885
US-20050272935-A1 Organic compounds ACHE, DDT, TYR MGAM 798/4885AMY1A 405/4885GAA 2198/4885

“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.