SCHEMBL2587327

SCHEMBL2587327

O=Cc1cc(OC2CCCC2)nc(-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
PTGS2 P35354 1/20 0.39
FFAR4 Q5NUL3 7/20 0.39
ADORA2A P29274 3/20 0.38
ADORA1 P30542 3/20 0.38
ADORA3 P0DMS8 2/20 0.38
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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 0.78 ADORA2A (0.43) ALDH1A1PTGS2FFAR4ADORA2AADORA1
SCHEMBL2587393 0.77 ADORA2A (0.44) ALDH1A1FFAR4ADORA2AADORA1ADORA3
SCHEMBL2580485 0.76 CYP1A2 (0.40) ALDH1A1MAPTPTGS2FFAR4ADORA2A
SCHEMBL302424 0.75 ADORA2A (0.50) ALDH1A1MAPTADORA2AADORA1ADORA3
SCHEMBL2586668 0.74 MAPT (0.54) ALDH1A1MAPTPTGS2TDP1LMNA
SCHEMBL28132404 0.71 ADORA1 (0.53) ALDH1A1MAPTADORA2AADORA1ADORA3
SCHEMBL25246857 0.70 FFAR4 (0.42) FFAR4
SCHEMBL7461705 0.68 LMNA (0.56) MAPTLMNARAB9AMAPK1L3MBTL1
SCHEMBL18003558 0.68 HPGD (0.64) ALDH1A1MAPTTDP1LMNAMAPK1
SCHEMBL18003904 0.67 HPGD (0.67) ALDH1A1MAPTTDP1LMNAMAPK1

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 1522/4885MAPT 4050/4885PTGS2 1256/4885

“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.