SCHEMBL7973983

SCHEMBL7973983

CSc1c(C#N)c(N)nc(Sc2ccccc2)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
HPGD P15428 3/20 0.48
HIF1A Q16665 2/20 0.48
GALR3 O60755 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
RXFP1 Q9HBX9 2/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ALOX15 P16050 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
PTPN1 P18031 1/20 0.43
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL12536072 0.85 MAPT (0.43) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL10195762 0.82 MAPT (0.56) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL245593 0.78 ADORA1 (0.64) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL19716713 0.74 DNMT1 (0.56) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL244863 0.73 ADORA1 (0.61) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL13938147 0.73 ADORA1 (0.62) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3333404 0.73 MAPT (0.81) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL9615083 0.72 KDM4E (0.44) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL28185531 0.71 KDM4E (0.73) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL6462984 0.71 MAPT (0.59) MAPTKDM4EALDH1A1MEN1KMT2A

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-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-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
WO-2009143992-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-03 WO disclosed
WO-2009080197-A1 SUBSTITUTED PYRROLO[2, 3-B] AND PYRAZOLO[3, 4-B] PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 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 (3 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-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF PPIP5K2, TPMT, PNPO MAPT 4764/4885KDM4E 2518/4885ALDH1A1 1705/4885
US-20110136871-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE QDPR, TNNI3, TNNT2 MAPT 3819/4885KDM4E 2290/4885ALDH1A1 747/4885
US-20140296295-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE QDPR, TNNI3, TNNT2 MAPT 3819/4885KDM4E 2290/4885ALDH1A1 747/4885

“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.