SCHEMBL13429007

SCHEMBL13429007

[C-]#[N+]c1c(N)nc(SCc2ccc(C)nc2)c(C#N)c1SC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.42
ALDH1A1 P00352 8/20 0.39
TSHR P16473 3/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 5/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 2/20 0.38
THRB P10828 1/20 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
SCHEMBL13429003 0.87 RET (0.43) RETALDH1A1HPGDMAPTKDM4E
SCHEMBL13456494 0.87 RET (0.47) RETALDH1A1TSHRRECQLRAB9A
SCHEMBL13429005 0.86 RET (0.38) RETALDH1A1TSHRRAB9AHPGD
SCHEMBL13429079 0.82 RET (0.38) RETALDH1A1TSHRRECQLRAB9A
SCHEMBL13429083 0.82 ALDH1A1 (0.39) RETALDH1A1TSHRRECQLRAB9A
SCHEMBL13428998 0.76 ADORA1 (0.47) ALDH1A1KMT2AADORA1HTTL3MBTL1
SCHEMBL13456493 0.75 RET (0.43) RETALDH1A1TSHRRECQLHPGD
SCHEMBL13472211 0.74 RET (0.47) RETALDH1A1TSHRHPGDKMT2A
SCHEMBL13456539 0.74 RET (0.42) RETALDH1A1TSHRRAB9AHPGD
SCHEMBL12376471 0.73 ADORA1 (0.63) ADORA1

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 1200/4885ALDH1A1 1558/4885TSHR 3150/4885

“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.