SCHEMBL2581685

SCHEMBL2581685

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.45
ADORA1 P30542 3/20 0.44
ALDH1A1 P00352 4/20 0.44
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
PTGS2 P35354 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
MCL1 Q07820 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C19 P33261 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
SCHEMBL2581896 0.85 LMNA (0.55) MEN1HPGDKMT2ALMNAPOLB
SCHEMBL25817273 0.82 L3MBTL1 (0.50) ADORA1ALDH1A1PTGS2ADORA3ADORA2A
SCHEMBL2577413 0.78 LMNA (0.61) ADORA1ADORA3ADORA2AMEN1MAPT
SCHEMBL2580383 0.78 P2RY12 (0.39) P2RY12ADORA1ALDH1A1ADORA3ADORA2A
SCHEMBL4265697 0.78 KMO (0.58) ADORA1ALDH1A1ADORA3ADORA2AMEN1
SCHEMBL15745464 0.78 ADORA1 (0.53) ADORA1ALDH1A1ADORA3ADORA2AMEN1
SCHEMBL981519 0.76 HPGDS (0.46) ADORA1ALDH1A1ADORA3ADORA2AMEN1
SCHEMBL6397903 0.75 LMNA (0.57) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL24626777 0.75 L3MBTL1 (0.42) ADORA1ALDH1A1PTGS2ADORA3ADORA2A
SCHEMBL523744 0.75 LMNA (0.56) ALDH1A1MEN1MAPTKMT2ATSHR

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 P2RY12 1/4885ADORA1 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.