SCHEMBL12092425

SCHEMBL12092425

Cc1nc(CN(C)C)cs1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
OPRK1 P41145 1/20 0.41
SLC6A3 Q01959 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.39
FABP6 P51161 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL13178238 0.83 GAA (0.42) GAAKMT2AMEN1MAPTOPRK1
SCHEMBL12088916 0.80 OPRK1 (0.44) GAAKMT2AMEN1MAPTOPRK1
SCHEMBL20374542 0.79 PKM (0.44) GAAKMT2AMEN1MAPTSLC6A3
SCHEMBL19059427 0.79 KMT2A (0.41) GAAKMT2AMEN1MAPTOPRK1
SCHEMBL10958388 0.78 ENPP2 (0.39) KMT2AMEN1LMNA
SCHEMBL18157890 0.78 CNR2 (0.44) KMT2AMEN1SLC6A3
SCHEMBL17383804 0.77 L3MBTL1 (0.43) GAAKMT2AMEN1MAPTOPRK1
SCHEMBL10128292 0.77 KMT2A (0.47) GAAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL5913878 0.77 HSD17B10 (0.48) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL939332 0.77 SLC6A3 (0.38) KMT2AMEN1SLC6A3TDP1LMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470012-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-11-05 EP disclosed
US-20120225886-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-09-06 US disclosed
US-8063061-B2 6-(2-amino-1,3-thiazol-4-yl)-3-(2,4-dichlorophenyl)-1-methyl-1,9-dihydro-2H-pyrido[2,3-b]indol-2-one; affinity for GABAA-receptor-associated omega modulatory sites SANOFI-AVENTIS (FR) 2011-11-22 US disclosed
US-8063061-B2 6-(2-amino-1,3-thiazol-4-yl)-3-(2,4-dichlorophenyl)-1-methyl-1,9-dihydro-2H-pyrido[2,3-b]indol-2-one; affinity for GABAA-receptor-associated omega modulatory sites SANOFI-AVENTIS (FR) 2011-11-22 US disclosed
US-7632833-B2 Anticancer agents MERCK & CO., INC. (US) 2009-12-15 US disclosed
US-20080287414-A1 Mitotic Kinesin Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-7414048-B2 4,5-dihydro-isoxazole derivatives and their pharmaceutical use JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-19 US disclosed
US-7414048-B2 4,5-dihydro-isoxazole derivatives and their pharmaceutical use JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-19 US disclosed
WO-2007045758-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-04-26 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-20120225886-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 GAA 2706/4885KMT2A 4265/4885MEN1 4791/4885
US-20080287414-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF18B GAA 1032/4885KMT2A 839/4885MEN1 2542/4885
US-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof CYP11B2, CYP11B1, CYP2D6 GAA 1532/4885KMT2A 2956/4885MEN1 2522/4885

“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.