SCHEMBL12376472

SCHEMBL12376472

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

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTPN1 P18031 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
GALR3 O60755 1/20 0.30
HIF1A Q16665 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL12536068 0.83 ALDH1A1 (0.36) NPSR1KDM4EMEN1MAPTKMT2A
SCHEMBL381580 0.80 NPSR1 (0.40) NPSR1KDM4EMEN1MAPTKMT2A
SCHEMBL29658422 0.80 NPSR1 (0.40) NPSR1KDM4EMEN1MAPTKMT2A
SCHEMBL12376467 0.78
SCHEMBL12536072 0.74 MAPT (0.43) NPSR1KDM4EMEN1MAPTKMT2A
SCHEMBL12536073 0.70 ADORA2A (0.46) NPSR1KDM4ELMNAALOX15HTT
SCHEMBL12376462 0.69 ADORA1 (0.30)
SCHEMBL12376505 0.69
SCHEMBL12376487 0.67 KDM4E (0.35) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL13429007 0.67 RET (0.42) NPSR1KDM4EMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017216726-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
WO-2017216727-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
US-9205077-B2 2-alkoxy-substituted dicyanopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
US-20140296295-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-02 US disclosed
US-8791146-B2 2-alkoxy-substituted dicyanopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-29 US disclosed
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-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
US-20110136871-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE BAYER SCHERING AKTIENGESELLSCHAFT (DE) 2011-06-09 US disclosed
US-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-06 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 (5 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 NPSR1 4067/4885KDM4E 489/4885MEN1 3087/4885
US-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF PPIP5K2, TPMT, PNPO NPSR1 3419/4885KDM4E 2518/4885MEN1 3728/4885
US-20110136871-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE QDPR, TNNI3, TNNT2 NPSR1 3804/4885KDM4E 2290/4885MEN1 2973/4885
US-20140296295-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE QDPR, TNNI3, TNNT2 NPSR1 3804/4885KDM4E 2290/4885MEN1 2973/4885
US-20110207698-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE QDPR, TNNI3, SDHA NPSR1 3537/4885KDM4E 3532/4885MEN1 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.