SCHEMBL13429072

SCHEMBL13429072

[C-]#[N+]c1c(N)nc(SCc2ccc(OC)nc2)c(C#N)c1N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.39
CSF1R P07333 2/20 0.38
KIT P10721 2/20 0.38
CASP3 P42574 1/20 0.37
CASP6 P55212 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 3/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
RCE1 Q9Y256 1/20 0.37
POLB P06746 2/20 0.36

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
SCHEMBL13429077 0.99 RET (0.38) RETCSF1RKITCASP3CASP6
SCHEMBL13456299 0.89 RET (0.44) RETCSF1RKITCASP3CASP6
SCHEMBL13429079 0.88 RET (0.38) RETALDH1A1HPGDHSD17B10KDM4E
SCHEMBL13456420 0.88 RET (0.43) RETCSF1RKITCASP3CASP6
SCHEMBL13429083 0.87 ALDH1A1 (0.39) RETALDH1A1HPGDHSD17B10KDM4E
SCHEMBL13429003 0.83 RET (0.43) RETALDH1A1HPGDHSD17B10KDM4E
SCHEMBL13429071 0.83 ALDH1A1 (0.35) RETALDH1A1HPGDHSD17B10KDM4E
SCHEMBL12910809 0.77 ADORA1 (0.49) RETALDH1A1HPGDHSD17B10KDM4E
SCHEMBL13456379 0.76 RET (0.44) RETALDH1A1HPGDHSD17B10KDM4E
SCHEMBL13456421 0.75 RET (0.43) RETALDH1A1HPGDHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703934-B2 Substituted 4-amino-3,5-dicyano-2-thiopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-22 US disclosed
US-20100069363-A1 SUBSTITUTED 4-AMINO-3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-18 US 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-20100069363-A1 SUBSTITUTED 4-AMINO-3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF QDPR, DDC, TPMT RET 1200/4885CSF1R 4419/4885KIT 2788/4885

“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.