SCHEMBL2581896

SCHEMBL2581896

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
RBP4 P02753 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45

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
SCHEMBL2581685 0.85 P2RY12 (0.45) LMNAPOLBMEN1KMT2ANPSR1
SCHEMBL16505292 0.85 MCL1 (0.45)
SCHEMBL4265697 0.79 KMO (0.58) LMNAMEN1KMT2ANPSR1HPGD
SCHEMBL10223640 0.78 LMNA (0.50) LMNAPOLBMEN1KMT2ANPC1
SCHEMBL602859 0.78 LMNA (0.50) LMNAPOLBMEN1KMT2ANPC1
SCHEMBL981519 0.77 HPGDS (0.46) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL602293 0.77 LMNA (0.64) LMNAPOLBMEN1KMT2ANPC1
SCHEMBL18527435 0.77 HSD17B10 (0.71) LMNAPOLBMEN1KMT2ARAB9A
SCHEMBL2577413 0.76 LMNA (0.61) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL523744 0.76 LMNA (0.56) LMNAPOLBMEN1KMT2A

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 LMNA 3640/4885POLB 2315/4885RBP4 1146/4885

“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.