SCHEMBL2584036

SCHEMBL2584036

COC(=O)c1cc(CCl)nc(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE5A O76074 2/20 0.42
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
BLM P54132 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
MAPT P10636 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
PRNP P04156 1/20 0.40

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
SCHEMBL2588413 0.87 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10PDE5A
SCHEMBL984175 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10PDE5A
SCHEMBL19915774 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2577365 0.84 MEN1 (0.44) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL4960971 0.83 P2RY12 (0.51) ALDH1A1KDM4EHPGDHSD17B10PDE5A
SCHEMBL4960361 0.82 P2RY12 (0.48) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL4265804 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL983739 0.80 P2RY12 (0.54) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL985111 0.80 LMNA (0.54) ALDH1A1KDM4EHPGDHSD17B10ABCC1
SCHEMBL27846650 0.79 ADORA1 (0.44) ALDH1A1KDM4EHPGDHSD17B10PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893634-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-21 EP disclosed
US-8048881-B2 Uding 4-aminocarbonyl-pyrimidine; vascular disorders; cardiovascular disorders; thrombosis; brain disorders; vision defects ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-01 US disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 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-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 ALDH1A1 1522/4885KDM4E 3585/4885HPGD 1578/4885

“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.