SCHEMBL2234873

SCHEMBL2234873

O=c1c2ncsc2nc(Oc2cc(F)c(F)cc2F)n1-c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
POLB P06746 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
MET P08581 6/20 0.31
KDR P35968 2/20 0.31
SCN9A Q15858 1/20 0.31
USP2 O75604 1/20 0.31
GLA P06280 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
EP300 Q09472 1/20 0.30
CREBBP Q92793 1/20 0.30
KAT2A Q92830 1/20 0.30
KAT2B Q92831 1/20 0.30
AXL P30530 1/20 0.30
GYS1 P13807 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2233112 0.92 NPBWR1 (0.37) DPP4METKDRSCN9A
SCHEMBL2237030 0.88 MAT2A (0.36) METKDRSCN9ATSHRAXL
SCHEMBL2234285 0.88 DPP4 (0.32) DPP4TRPV4POLBMALT1USP2
SCHEMBL2236235 0.87 TRPV4 (0.32) DPP4TRPV4MALT1USP2GLA
SCHEMBL2236818 0.87 TRPV4 (0.38) TRPV4USP2GLACYP1A2CYP3A4
SCHEMBL2233435 0.86 TRPV4 (0.35) DPP4TRPV4POLBUSP2GLA
SCHEMBL2232756 0.81 MDM2 (0.36) TRPV4MET
SCHEMBL15826876 0.81 DPP4 (0.32) DPP4TRPV4
SCHEMBL2233206 0.80 SLC22A12 (0.34) TRPV4USP2GLACYP1A2CYP3A4
SCHEMBL15826872 0.80 DPP4 (0.31) DPP4TRPV4USP2GLACYP1A2

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
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
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 DPP4 1875/4885TRPV4 1155/4885POLB 1946/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR DPP4 1875/4885TRPV4 1155/4885POLB 1946/4885

“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.