SCHEMBL4427399

SCHEMBL4427399

COCCOc1ccc(-c2c(C#N)c(N)nc(SCc3csc(Cl)n3)c2C#N)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 19/20 0.67
SLC6A3 Q01959 1/20 0.67
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52

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
SCHEMBL4427010 0.92 ADORA1 (0.74) ADORA1SLC6A3KDM4EMEN1USP2
SCHEMBL4435702 0.91 ADORA1 (0.67) ADORA1SLC6A3KDM4EMEN1USP2
SCHEMBL13929985 0.91 ADORA1 (0.80) ADORA1SLC6A3
SCHEMBL14464879 0.90 ADORA1 (0.84) ADORA1SLC6A3
SCHEMBL13929983 0.89 ADORA1 (0.65) ADORA1SLC6A3KDM4EMEN1USP2
SCHEMBL4426727 0.88 ADORA1 (0.82) ADORA1SLC6A3
SCHEMBL13930005 0.88 ADORA1 (0.66) ADORA1SLC6A3KDM4EMEN1USP2
SCHEMBL4432630 0.86 ADORA1 (0.71) ADORA1SLC6A3
SCHEMBL14039885 0.86 ADORA1 (0.66) ADORA1SLC6A3
SCHEMBL4428654 0.86 ADORA1 (0.67) ADORA1SLC6A3KDM4EMEN1ALDH1A1

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
EP-1455785-B1 SUBSTITUTED 2-THIO-3,5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THE USE OF THE SAME BAYER HEALTHCARE AG (DE) 2009-03-04 EP disclosed
US-20060217373-A1 Substituted 2-thio-3,5-dicyano-4-phenyl-6-aminopyridines and the use of the same BAYER HEALTHCARE AG (DE) 2006-09-28 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-20060217373-A1 Substituted 2-thio-3,5-dicyano-4-phenyl-6-aminopyridines and the use of the same TPMT, QDPR, TUBB6 ADORA1 998/4885SLC6A3 215/4885KDM4E 1662/4885

“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.