SCHEMBL2235223

SCHEMBL2235223

CCn1cnc2c(=O)n(-c3ccc(F)cc3)c(Oc3cccc(F)c3F)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA3 Q9Y6Q9 2/20 0.38
HTT P42858 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
CDK1 P06493 4/20 0.37
CYP1A2 P05177 4/20 0.36
ALDH1A1 P00352 3/20 0.36
CASP1 P29466 3/20 0.36
CASP7 P55210 3/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 2/20 0.36
CYP2D6 P10635 2/20 0.36
KMT2A Q03164 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP3A4 P08684 2/20 0.36
HBB P68871 1/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 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
SCHEMBL2236085 0.93 HTT (0.39) NCOA3HTTCDK1CYP1A2ALDH1A1
SCHEMBL2233418 0.90 HTT (0.41) NCOA3HTTCDK1CYP1A2ALDH1A1
SCHEMBL2233232 0.89 HTT (0.37) NCOA3HTTCDK1CYP1A2ALDH1A1
SCHEMBL2234815 0.88 BRD4 (0.42) NCOA3HTTCDK1
SCHEMBL2235855 0.87 HTT (0.39) NCOA3HTTCDK1TSHRHPGD
SCHEMBL2235279 0.87 TRPV4 (0.41) NCOA3HTTTRPV4CYP1A2ALDH1A1
SCHEMBL11920295 0.86 MAOA (0.36) HTTCYP1A2ALDH1A1CASP1CASP7
SCHEMBL2235271 0.84 MAT2A (0.43) NCOA3HTTCDK1MEN1KMT2A
SCHEMBL2235092 0.84 HTT (0.39) NCOA3HTTCDK1CYP1A2ALDH1A1
SCHEMBL11920297 0.82 BRD4 (0.40) NCOA3HTTHPGDGAA

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 2063/4885TRPV4 1155/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR NCOA3 841/4885HTT 2063/4885TRPV4 1155/4885

“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.