SCHEMBL1028666

SCHEMBL1028666

Cc1ccc(CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.80
MAPT P10636 8/20 0.80
MEN1 O00255 7/20 0.80
KMT2A Q03164 7/20 0.80
KDM4E B2RXH2 7/20 0.80
NPSR1 Q6W5P4 6/20 0.80
HPGD P15428 5/20 0.80
TSHR P16473 3/20 0.80
HSD17B10 Q99714 3/20 0.80
SMN1; SMN2 Q16637 2/20 0.80
LMNA P02545 2/20 0.80
MAPK10 P53779 1/20 0.80
HTT P42858 3/20 0.79
TP53 P04637 1/20 0.79
RET P07949 6/20 0.70
GAA P10253 3/20 0.66
STAT6 P42226 1/20 0.66
HIF1A Q16665 1/20 0.66
PKM P14618 1/20 0.66
ADORA2B P29275 2/20 0.65

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
SCHEMBL1028936 0.90 ALDH1A1 (0.81) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5040253 0.90 ALDH1A1 (0.85) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1026044 0.89 ALDH1A1 (0.80) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1028323 0.89 ALDH1A1 (0.80) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1030844 0.88 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1026394 0.88 ALDH1A1 (0.75) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL12409394 0.86 ADORA1 (0.73) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1029156 0.83 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1028854 0.83 ALDH1A1 (0.79) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1029514 0.82 ALDH1A1 (0.78) ALDH1A1MAPTMEN1KMT2AKDM4E

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-20110207698-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-25 US claimed
EP-2274299-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF FOR TREATMENT OF CARDIOVASCULAR DISEASES Bayer Schering Pharma AG (DE) 2011-01-19 EP claimed
WO-2009112155-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF FOR TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2009-09-17 WO claimed
US-8426602-B2 Heteroaryl-substituted dicyanopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-23 US disclosed
US-20110207698-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-25 US disclosed
EP-2274299-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF FOR TREATMENT OF CARDIOVASCULAR DISEASES Bayer Schering Pharma AG (DE) 2011-01-19 EP disclosed
WO-2009112155-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF FOR TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2009-09-17 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-20110207698-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE QDPR, TNNI3, SDHA ALDH1A1 2170/4885MAPT 4142/4885MEN1 2839/4885

“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.