SCHEMBL1398174

SCHEMBL1398174

CC(=O)Cc1nnc(C)s1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
F2 P00734 1/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 4/20 0.37
RECQL P46063 2/20 0.36
PKM P14618 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ESR1 P03372 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL5545037 0.83 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL11011542 0.80 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL22286589 0.79 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL25952192 0.76 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL4771732 0.74 MME (0.44) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL4324910 0.72
SCHEMBL6936153 0.71 MME (0.48) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL19915088 0.71 RAB9A (0.42) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL4853371 0.70 RAB9A (0.77) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL12263499 0.70 ALDH1A1 (0.49) SMN1; SMN2RAB9ANPC1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404723-B2 3-cyano 5-thiazaheteroaryl-dihydropyridine and the use thereof for the treatment of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-26 US disclosed
EP-2086969-B1 3-CYANO-5-THIAZAHETEROARYL-DIHYDROPYRIDINE AND THE USE THEREOF FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2011-03-02 EP disclosed
US-20100240620-A1 3-Cyano-5-thiazaheteroaryl-dihydropyridine and the use thereof for the treatment of cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 US disclosed
EP-2086969-A1 3-CYANO-5-THIAZAHETEROARYL-DIHYDROPYRIDINE AND THE USE THEREOF FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer Schering Pharma AG (DE) 2009-08-12 EP disclosed
WO-2008034534-A1 3-CYANO-5-THIAZAHETEROARYL-DIHYDROPYRIDINE AND THE USE THEREOF FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-27 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 (1 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-20100240620-A1 3-Cyano-5-thiazaheteroaryl-dihydropyridine and the use thereof for the treatment of cardiovascular diseases TNNI3, TNNT2, QDPR SMN1; SMN2 3185/4885RAB9A 4157/4885NPC1 573/4885

“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.