SCHEMBL2734698

SCHEMBL2734698

CC(C)(C)C(=O)Cn1nc2ccc(Cl)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 3/20 0.38
HTT P42858 2/20 0.38
MITF O75030 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRIN2B Q13224 3/20 0.38
TBXA2R P21731 1/20 0.38
CNR1 P21554 4/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 1/20 0.36
IDE P14735 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL205114 0.83 CNR1 (0.39) KMT2AALDH1A1NPC1SMN1; SMN2CNR1
SCHEMBL11985476 0.80 ALDH1A1 (0.46) KMT2AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL205125 0.80 CNR1 (0.40) KMT2AALDH1A1SMN1; SMN2CNR1MEN1
SCHEMBL2734420 0.78 CNR1 (0.37) KMT2AALDH1A1NPC1HTTCNR1
SCHEMBL205013 0.77 ALDH1A1 (0.40) KMT2AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL203204 0.77 ALDH1A1 (0.40) KMT2AALDH1A1LMNANPC1HTT
SCHEMBL205092 0.77 CNR1 (0.37) KMT2AALDH1A1NPC1CNR1RAB9A
SCHEMBL205093 0.76 CNR1 (0.34) HTTSMN1; SMN2TBXA2RCNR1CNR2
SCHEMBL10272561 0.71 NPC1 (0.36) KMT2ANPC1TBXA2RMEN1RAB9A
SCHEMBL2759654 0.71 MAPT (0.36) KMT2AALDH1A1NPC1HTTGRIN2B

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 27 patents — showing the first 20. 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-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
EP-2364301-B1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL LTD (US) 2015-09-02 EP disclosed
EP-2155699-B1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL INC (US) 2015-07-08 EP disclosed
US-8822689-B2 Aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL LIMITED (US) 2014-09-02 US disclosed
US-8822689-B2 Aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL LIMITED (US) 2014-09-02 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-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
US-8088801-B2 Aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL LIMITED (US) 2012-01-03 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
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
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2008-12-18 US 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 KMT2A 278/4885ALDH1A1 1677/4885LMNA 753/4885
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR KMT2A 278/4885ALDH1A1 1677/4885LMNA 753/4885
US-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4B1, NPY4R, CYP4X1 KMT2A 261/4885ALDH1A1 1144/4885LMNA 1068/4885

“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.