SCHEMBL2233133

SCHEMBL2233133

COc1ccc(Oc2nc3c(ncn3C)c(=O)n2-c2ccc(F)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA3 Q9Y6Q9 2/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 6/20 0.39
CYP3A4 P08684 5/20 0.39
USP2 O75604 4/20 0.39
GLA P06280 2/20 0.39
TP53 P04637 1/20 0.38
MALT1 Q9UDY8 1/20 0.36
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPK1 P28482 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
CYP2C19 P33261 2/20 0.36
CLK4 Q9HAZ1 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HPGD P15428 2/20 0.36
HIF1A Q16665 2/20 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
SCHEMBL2234146 0.92 NCOA3 (0.36) NCOA3HTTCYP1A2CYP3A4USP2
SCHEMBL2235279 0.89 TRPV4 (0.41) NCOA3HTTCYP1A2CYP3A4USP2
SCHEMBL2234790 0.88 CTSS (0.36) NCOA3HTTALDH1A1MEN1KMT2A
SCHEMBL2234582 0.87 MAPK14 (0.43) MET
SCHEMBL2234735 0.87 HTT (0.39) NCOA3HTTCYP1A2CYP3A4USP2
SCHEMBL2233418 0.86 HTT (0.41) NCOA3HTTCYP1A2CYP3A4USP2
SCHEMBL2234980 0.86 MAPK14 (0.35) NCOA3HTTCYP1A2CYP3A4USP2
SCHEMBL2237959 0.86 MET (0.38) NCOA3HTTCYP1A2CYP3A4USP2
SCHEMBL2232219 0.86 KCNH2 (0.37) NCOA3HTTALDH1A1METTRPV4
SCHEMBL15826866 0.86 TP53 (0.36) NCOA3HTTCYP1A2CYP3A4TP53

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759361-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2014-06-24 US claimed
EP-2061794-B1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORP (US) 2012-12-05 EP claimed
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2012-08-16 US claimed
US-8003656-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2011-08-23 US claimed
US-20090069347-A1 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2009-03-12 US claimed
US-8759361-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2014-06-24 US disclosed
US-8759361-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2014-06-24 US disclosed
US-8759361-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2014-06-24 US disclosed
EP-2061794-B1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORP (US) 2012-12-05 EP disclosed
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2012-08-16 US disclosed
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2012-08-16 US disclosed
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2012-08-16 US disclosed
US-8003656-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2011-08-23 US disclosed
US-8003656-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2011-08-23 US disclosed
US-8003656-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2011-08-23 US disclosed
US-20090069347-A1 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2009-03-12 US disclosed
US-20090069347-A1 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2009-03-12 US disclosed
US-20090069347-A1 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2009-03-12 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 (2 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-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES GPR174, GPR17, PTGFR NCOA3 841/4885HTT 2063/4885CYP1A2 757/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR NCOA3 841/4885HTT 2063/4885CYP1A2 757/4885

“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.