SCHEMBL1398173

SCHEMBL1398173

Cc1cnc2cccc(C=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
ERN1 O75460 3/20 0.40
ALDH1A1 P00352 5/20 0.38
TSHR P16473 1/20 0.38
PARP1 P09874 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
IDO1 P14902 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDK2 Q15119 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
SCHEMBL29953935 0.79 ERN1 (0.47) ERN1PARP1NPSR1MEN1KMT2A
SCHEMBL23262666 0.79 TRIM24 (0.42) ERN1ALDH1A1TSHRNPSR1MEN1
SCHEMBL3244529 0.79 MTNR1B (0.49) CYP1A2ERN1ALDH1A1NPSR1KDM4E
SCHEMBL7283402 0.77 MET (0.50) ERN1NPC1RAB9ASMN1; SMN2PSMB5
SCHEMBL9539910 0.77 CYP1A2 (0.52) CYP1A2PARP1KDM4ELMNAHTT
SCHEMBL5545382 0.77 CYP1A2 (0.50) CYP1A2ALDH1A1PARP1NPSR1MEN1
SCHEMBL2633153 0.76 CYP1A2 (0.53) CYP1A2KDM4ECCR1CCR5CCR8
SCHEMBL30666632 0.76 CYP1A2 (0.53) CYP1A2KDM4ECCR1CCR5CCR8
SCHEMBL24956766 0.75 HTR1A (0.51) ERN1ALDH1A1PARP1NPSR1MEN1
SCHEMBL21123086 0.75 ERN1 (0.39) CYP1A2ERN1ALDH1A1TSHRPARP1

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 9 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
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
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 CYP1A2 678/4885ERN1 3790/4885ALDH1A1 506/4885

“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.