SCHEMBL2587393

SCHEMBL2587393

O=C(O)c1cc(OC2CCCCC2)nc(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
ADORA3 P0DMS8 3/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
KMO O15229 2/20 0.41
FFAR4 Q5NUL3 5/20 0.41
S1PR1 P21453 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
MAOB P27338 1/20 0.39
P2RY12 Q9H244 1/20 0.39

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
SCHEMBL2578647 0.99 ADORA2A (0.43) ADORA2AADORA1ALDH1A1LMNARAB9A
SCHEMBL2587327 0.77 ALDH1A1 (0.41) ADORA2AADORA1ALDH1A1LMNARAB9A
SCHEMBL2580485 0.77 CYP1A2 (0.40) ADORA2AADORA1ALDH1A1LMNARAB9A
SCHEMBL27706399 0.77 P2RY12 (0.58) P2RY12
SCHEMBL27706400 0.77 P2RY12 (0.58) P2RY12
SCHEMBL2581987 0.76 FFAR4 (0.46) KMOFFAR4P2RY12
SCHEMBL2580556 0.76 LMNA (0.58) ALDH1A1LMNARAB9AADORA3
SCHEMBL317418 0.75 MCL1 (0.51) ADORA2AADORA1ADORA3KMOP2RY12
SCHEMBL18128987 0.75 KDM4E (0.48) KMOFFAR4S1PR1MAOB
SCHEMBL19174289 0.73 KMO (0.41) RAB9AKMO

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
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
EP-1893634-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2006114774-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-11-02 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 (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 ADORA2A 21/4885ADORA1 27/4885ALDH1A1 1522/4885

“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.