SCHEMBL204667

SCHEMBL204667

CC(=O)Cn1nc2cc(Cl)ccc2c1OCCN(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.43
KDM4E B2RXH2 6/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
ACHE P22303 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MCL1 Q07820 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
FERMT2 Q96AC1 1/20 0.37
CHRM2 P08172 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
SCHEMBL204231 0.87 KDM4C (0.42) KDM4EGAAKDM4CSMN1; SMN2ALDH1A1
SCHEMBL205105 0.86 ALDH1A1 (0.45) KDM4EKDM4CALDH1A1CYP3A4CYP2C19
SCHEMBL203319 0.86 ALDH1A1 (0.41) KDM4EGAAMAPK1KDM4CSMN1; SMN2
SCHEMBL203230 0.86 ALDH1A1 (0.46) KDM4EGAAKDM4CSMN1; SMN2ALDH1A1
SCHEMBL205202 0.82 HPGD (0.42) KDM4EGAAKDM4CSMN1; SMN2ALDH1A1
SCHEMBL204039 0.76 ATM (0.43) KDM4EGAAMAPK1KDM4CSMN1; SMN2
SCHEMBL203661 0.75 NR4A2 (0.39) NR4A2KDM4EGAAMAPK1ACHE
SCHEMBL203715 0.75 MCL1 (0.44) KDM4CALDH1A1CYP3A4MCL1KMT2A
SCHEMBL203873 0.72 MCL1 (0.42) KDM4EMAPK1ALDH1A1MCL1MEN1
SCHEMBL203401 0.70 ALDH1A1 (0.45) KDM4EGAASMN1; SMN2ALDH1A1CYP1A2

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 25 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
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-8283475-B2 Aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL LIMITED (US) 2012-10-09 US disclosed
US-20120149750-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2012-06-14 US disclosed
US-8088801-B2 Aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL LIMITED (US) 2012-01-03 US disclosed
EP-2364301-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL- 2 -YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS Merial Limited (US) 2011-09-14 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

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-20120149750-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR NR4A2 2354/4885KDM4E 77/4885GAA 1853/4885
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR NR4A2 2354/4885KDM4E 77/4885GAA 1853/4885
US-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4B1, NPY4R, CYP4X1 NR4A2 333/4885KDM4E 38/4885GAA 2591/4885

“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.