SCHEMBL2233089

SCHEMBL2233089

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Oc3cccc(F)c3F)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.37
MET P08581 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
GSR P00390 1/20 0.36
CYP1A2 P05177 4/20 0.36
USP2 O75604 3/20 0.36
CYP3A4 P08684 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
MAPK14 Q16539 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2235279 0.93 TRPV4 (0.41) METCYP1A2USP2CYP3A4GLA
SCHEMBL2237875 0.93 MAOA (0.38) GRM1METSMN1; SMN2MAOAMAOB
SCHEMBL2233767 0.89 KCNH2 (0.35) METSMN1; SMN2MAOAMAOBGSR
SCHEMBL15826877 0.89 MAOA (0.36) METSMN1; SMN2MAOAMAOBGSR
SCHEMBL2234146 0.88 NCOA3 (0.36) METMAOAMAOBCYP1A2USP2
SCHEMBL2234500 0.87 GSR (0.38) GRM1METSMN1; SMN2MAOAMAOB
SCHEMBL2234572 0.87 GSR (0.41) METMAOAMAOBGSRMAPK14
SCHEMBL2234234 0.87 MAOA (0.38) GRM1METSMN1; SMN2MAOAMAOB
SCHEMBL2234654 0.87 MET (0.41) GRM1METSMN1; SMN2MAOAMAOB
SCHEMBL2237841 0.86 MET (0.39) GRM1METSMN1; SMN2MAOAMAOB

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 10 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
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-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

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 GRM1 239/4885MET 560/4885SMN1; SMN2 1895/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR GRM1 239/4885MET 560/4885SMN1; SMN2 1895/4885

“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.