SCHEMBL2235581

SCHEMBL2235581

O=c1c2ncsc2nc(Oc2cccc(C(F)(F)F)c2Cl)n1-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.36
MDM2 Q00987 2/20 0.35
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CYP3A4 P08684 1/20 0.32
BDKRB2 P30411 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
MAP2K1 Q02750 1/20 0.31

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
SCHEMBL2232756 0.90 MDM2 (0.36) P2RX7MDM2KCNH2HRH3NR1H2
SCHEMBL15826865 0.85 TP53 (0.33) TRPV4
SCHEMBL2236818 0.82 TRPV4 (0.38) KCNH2HRH3CYP3A4CYP2C19TRPV4
SCHEMBL2235579 0.82 P2RX7 (0.37) P2RX7MDM2KCNH2HRH3
SCHEMBL2234818 0.80 P2RY1 (0.38) CYP2C19
SCHEMBL2234873 0.79 DPP4 (0.33) CYP3A4TRPV4
SCHEMBL2237030 0.79 MAT2A (0.36) KCNH2
SCHEMBL2233112 0.79 NPBWR1 (0.37)
SCHEMBL15826876 0.78 DPP4 (0.32) CYP2C19TRPV4
SCHEMBL2236235 0.78 TRPV4 (0.32) CYP3A4TRPV4

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 16 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
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-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
WO-2008024438-A2 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2008-02-28 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 (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 P2RX7 91/4885MDM2 2660/4885KCNH2 2603/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR P2RX7 91/4885MDM2 2660/4885KCNH2 2603/4885

“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.