SCHEMBL925562

SCHEMBL925562

COc1cc(-c2c(C#N)c(N)nc(S)c2C#N)ccc1OC1CCOC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.48
MAPK1 P28482 3/20 0.48
USP2 O75604 2/20 0.48
KDM4E B2RXH2 6/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CHEK1 O14757 1/20 0.45
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
S1PR4 O95977 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL12907808 0.89 CHEK1 (0.41) HSD17B10MAPK1USP2KDM4EHPGD
SCHEMBL924848 0.87 MAPK8 (0.39) HSD17B10MAPK1USP2KDM4EHPGD
SCHEMBL13914287 0.83 KDM4E (0.63) HSD17B10MAPK1USP2KDM4EHPGD
SCHEMBL923971 0.83 ADORA2A (0.42) HSD17B10KDM4EHPGDADORA2AADORA1
SCHEMBL12943220 0.77 ADORA1 (0.51) HSD17B10USP2KDM4EHPGDADORA1
SCHEMBL923720 0.77 ADORA1 (0.65) ADORA1
SCHEMBL12907815 0.77 MAPK8 (0.36) CHEK1EGFRMAPK8MAPK9
SCHEMBL13914291 0.76 KDM4E (0.54) HSD17B10MAPK1USP2KDM4EHPGD
SCHEMBL13914292 0.76 KDM4E (0.65) HSD17B10MAPK1USP2KDM4EHPGD
SCHEMBL3339298 0.76 KDM4E (0.51) HSD17B10MAPK1USP2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
EP-2242741-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-27 EP disclosed
WO-2009100827-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-20 WO disclosed
WO-2009100827-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-20 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-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE PC, DPP4, FABP3 HSD17B10 1034/4885MAPK1 2004/4885USP2 3619/4885

“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.