SCHEMBL1029261

SCHEMBL1029261

N#Cc1c(N)nc(S)c(C#N)c1-c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.60
ALDH1A1 P00352 10/20 0.59
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
ADORA1 P30542 5/20 0.57
ADORA3 P0DMS8 1/20 0.57
ADORA2B P29275 1/20 0.57
ADORA2A P29274 3/20 0.57
PIM1 P11309 1/20 0.57
MAPT P10636 7/20 0.55
NPSR1 Q6W5P4 5/20 0.55
HPGD P15428 5/20 0.55
HSD17B10 Q99714 4/20 0.55
TSHR P16473 4/20 0.55
GAA P10253 3/20 0.55
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
MAPK10 P53779 1/20 0.55
STAT6 P42226 1/20 0.55

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
SCHEMBL12376483 0.85 KDM4E (0.46) KDM4EALDH1A1MEN1KMT2AADORA1
SCHEMBL6442951 0.78 KDM4E (0.68) KDM4EALDH1A1MEN1KMT2AADORA1
SCHEMBL7013904 0.78 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2AADORA1
SCHEMBL7148008 0.78 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2AADORA1
SCHEMBL245321 0.76 ADORA2A (0.60) KDM4EALDH1A1MEN1KMT2AADORA1
SCHEMBL7013616 0.76 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2AADORA1
SCHEMBL1076157 0.76 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2AADORA1
SCHEMBL6256897 0.75 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2AADORA2A
SCHEMBL13941644 0.75 KDM4E (0.70) KDM4EALDH1A1MEN1KMT2AADORA2A
SCHEMBL1322425 0.75 KDM4E (0.73) KDM4EALDH1A1MEN1KMT2AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 US claimed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 EP claimed
EP-2274299-B1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF FOR TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2016-06-15 EP disclosed
EP-2274299-B1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF FOR TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2016-06-15 EP disclosed
US-8426602-B2 Heteroaryl-substituted dicyanopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-23 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-20110207698-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-25 US disclosed
EP-2274299-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF FOR TREATMENT OF CARDIOVASCULAR DISEASES Bayer Schering Pharma AG (DE) 2011-01-19 EP disclosed
WO-2009112155-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF FOR TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2009-09-17 WO disclosed
WO-2009112155-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF FOR TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2009-09-17 WO disclosed
WO-2005058315-A1 NOVEL HETEROCYCLIC COMPOUNDS AS IKK2 INHIBITORS WITH ANTI-HBV ACTIVITY RIBAPHARM, INC. (US) 2005-06-30 WO disclosed
US-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 US disclosed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 EP 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 (2 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-20030232860-A1 Medicine comprising dicyanopyridine derivative KCNN3, KCNN2, KCNN1 KDM4E 369/4885ALDH1A1 3292/4885MEN1 2381/4885
US-20110207698-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE QDPR, TNNI3, SDHA KDM4E 3532/4885ALDH1A1 2170/4885MEN1 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.