SCHEMBL2583561

SCHEMBL2583561

CC(C)Oc1cc(C(=O)O)nc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.47
BCL2 P10415 1/20 0.45
MDM2 Q00987 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
SCN9A Q15858 5/20 0.44
FPR2 P25090 4/20 0.44
XDH P47989 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 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
SCHEMBL2580556 0.83 LMNA (0.58) MCL1NPSR1MAPTADORA3ALOX15
SCHEMBL2586464 0.77 ALDH1A1 (0.47) MAPTKMT2AATM
SCHEMBL2582898 0.77 LTB4R (0.44)
SCHEMBL2583060 0.75 MCL1 (0.52) MCL1MDM2XDHMEN1KMT2A
SCHEMBL2586242 0.75 SMN1; SMN2 (0.47) MAPTMEN1KMT2AL3MBTL1
SCHEMBL2577413 0.74 LMNA (0.61) MAPTRXRAADORA3ADORA2AADORA1
SCHEMBL4265697 0.74 KMO (0.58) MCL1NPSR1MAPTADORA3ADORA2A
SCHEMBL2656280 0.73 KMT2A (0.52) MCL1MAPTRXRARXRBXDH
SCHEMBL2578647 0.73 ADORA2A (0.43) ADORA3ADORA2AADORA1
SCHEMBL981519 0.73 HPGDS (0.46) MCL1ADORA3ADORA2AADORA1ALOX15

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 MCL1 3483/4885BCL2 3582/4885MDM2 3377/4885

“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.