SCHEMBL2581987

SCHEMBL2581987

O=C(O)c1cc(OCC2CC2)nc(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.46
P2RY12 Q9H244 4/20 0.44
XDH P47989 1/20 0.43
KMO O15229 2/20 0.42
KDM1A O60341 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
CNR2 P34972 2/20 0.40
LRRK2 Q5S007 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
SCHEMBL2582898 0.81 LTB4R (0.44)
SCHEMBL2583060 0.80 MCL1 (0.52) XDH
SCHEMBL2586464 0.78 ALDH1A1 (0.47) P2RY12
SCHEMBL2578647 0.77 ADORA2A (0.43) FFAR4P2RY12KMO
SCHEMBL2587393 0.76 ADORA2A (0.44) FFAR4P2RY12KMO
SCHEMBL2586242 0.76 SMN1; SMN2 (0.47)
SCHEMBL2580556 0.76 LMNA (0.58)
SCHEMBL12478630 0.75 CNR2 (0.61) FFAR4XDHKMOKDM1ANR1H4
SCHEMBL20515876 0.73 ALOX15 (0.61) XDHKMO
SCHEMBL30438176 0.73 ALOX15 (0.61) XDHKMO

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 FFAR4 151/4885P2RY12 1/4885XDH 289/4885

“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.