SCHEMBL2236818

SCHEMBL2236818

O=c1c2ncsc2nc(Oc2cccc(F)c2F)n1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.38
CYP1A2 P05177 8/20 0.34
HSD17B10 Q99714 6/20 0.34
ALDH1A1 P00352 6/20 0.34
CASP1 P29466 5/20 0.34
CASP7 P55210 5/20 0.34
CYP3A4 P08684 4/20 0.34
MAPK1 P28482 2/20 0.34
CYP2C19 P33261 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
REN P00797 1/20 0.33
USP2 O75604 6/20 0.32
MEN1 O00255 6/20 0.32
KMT2A Q03164 6/20 0.32
TSHR P16473 3/20 0.32
CYP2D6 P10635 3/20 0.32
HIF1A Q16665 3/20 0.32
HPGD P15428 1/20 0.32
GLA P06280 1/20 0.32
EP300 Q09472 1/20 0.32

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
SCHEMBL2236235 0.91 TRPV4 (0.32) TRPV4CYP1A2CYP3A4USP2MEN1
SCHEMBL2234285 0.88 DPP4 (0.32) TRPV4CYP1A2CYP3A4CYP2C19USP2
SCHEMBL2232756 0.88 MDM2 (0.36) TRPV4KCNH2HRH3
SCHEMBL15826876 0.88 DPP4 (0.32) TRPV4CYP2C19
SCHEMBL2234873 0.87 DPP4 (0.33) TRPV4CYP1A2ALDH1A1CYP3A4USP2
SCHEMBL2233112 0.86 NPBWR1 (0.37)
SCHEMBL2233435 0.84 TRPV4 (0.35) TRPV4CYP1A2HSD17B10ALDH1A1CASP1
SCHEMBL2237030 0.82 MAT2A (0.36) MEN1KMT2ATSHRKCNH2
SCHEMBL15826865 0.82 TP53 (0.33) TRPV4
SCHEMBL2235581 0.82 P2RX7 (0.36) TRPV4CYP3A4CYP2C19KCNH2HRH3

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
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
EP-2061794-A2 2-PHENOXY PYRIMIDINONE ANALOGUES Neurogen Corporation (US) 2009-05-27 EP claimed
US-20090069347-A1 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2009-03-12 US claimed
WO-2008024438-A2 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2008-02-28 WO 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
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 TRPV4 1155/4885CYP1A2 757/4885HSD17B10 2440/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR TRPV4 1155/4885CYP1A2 757/4885HSD17B10 2440/4885

“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.