SCHEMBL1398309

SCHEMBL1398309

CC1=C(C#N)C(c2ccc(F)cc2Cl)C(c2nc(C)cs2)=C(C)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.52
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 3/20 0.35
MET P08581 5/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 2/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
APLNR P35414 1/20 0.34
PYGL P06737 1/20 0.33
RPS6KA3 P51812 1/20 0.33
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL1398179 0.90 NR3C2 (0.40) NR3C2ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1398181 0.89 NR3C2 (0.39) NR3C2ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1398183 0.88 NR3C2 (0.39) NR3C2ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1398197 0.86 ALDH1A1 (0.51) NR3C2ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL13125676 0.82 GSK3A (0.36) NR3C2METGSK3AGSK3BPYGL
SCHEMBL8259771 0.81 NR3C2 (0.67) NR3C2ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1398199 0.80 MET (0.42) NR3C2ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1398315 0.77 ALDH1A1 (0.52) NR3C2ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1398176 0.77 KDM4E (0.44) NR3C2ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1398177 0.75 NR3C2 (0.45) NR3C2ALDH1A1KDM4ESMN1; SMN2MAPT

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 7 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
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
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
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
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 NR3C2 406/4885ALDH1A1 506/4885KDM4E 1972/4885

“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.