SCHEMBL2236621

SCHEMBL2236621

Cn1cnc2c(=O)n(-c3ccc(F)cc3)c(Oc3ccc(F)cc3Cl)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 4/20 0.38
MCHR1 Q99705 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.37
GSR P00390 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ALDH1A2 O94788 1/20 0.35
ALDH1A3 P47895 1/20 0.35
MAPK14 Q16539 3/20 0.35
MET P08581 2/20 0.35
AXL P30530 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL2232780 0.96 GSR (0.41) NPBWR1MCHR1NPSR1MAPK1GSR
SCHEMBL2234582 0.89 MAPK14 (0.43) NPBWR1MCHR1MAPK14METBRD4
SCHEMBL2235219 0.88 MET (0.39) NPBWR1MCHR1GSRKMT2AMAPK14
SCHEMBL2234572 0.88 GSR (0.41) NPBWR1MCHR1GSRMAPK14MET
SCHEMBL2237959 0.86 MET (0.38) TP53HTTNCOA3ALDH1A1ALDH1A2
SCHEMBL2233133 0.85 NCOA3 (0.39) MAPK1TP53KMT2AHTTNCOA3
SCHEMBL2234980 0.84 MAPK14 (0.35) HTTNCOA3MAPK14METCYP1A2
SCHEMBL2234146 0.84 NCOA3 (0.36) TP53KMT2AHTTNCOA3ALDH1A1
SCHEMBL2234654 0.83 MET (0.41) MCHR1GSRMAPK14METSMN1; SMN2
SCHEMBL2235279 0.83 TRPV4 (0.41) MAPK1KMT2AHTTNCOA3ALDH1A1

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 17 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-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 NPBWR1 280/4885MCHR1 565/4885NPSR1 219/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR NPBWR1 280/4885MCHR1 565/4885NPSR1 219/4885

“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.