SCHEMBL2235579

SCHEMBL2235579

O=c1c2ncccc2nc(Oc2cccc(C(F)(F)F)c2Cl)n1-c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.37
CXCR3 P49682 2/20 0.37
HRH3 Q9Y5N1 4/20 0.36
MDM2 Q00987 1/20 0.35
KCNH2 Q12809 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MET P08581 2/20 0.33
ACHE P22303 1/20 0.33
AXL P30530 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 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
SCHEMBL2234518 0.90 CXCR3 (0.37) CXCR3HRH3MDM2KCNH2TRPV1
SCHEMBL2235581 0.82 P2RX7 (0.36) P2RX7HRH3MDM2KCNH2
SCHEMBL2233454 0.80 P2RY1 (0.45) HRH3MEN1KMT2A
SCHEMBL2233785 0.79 MET (0.40) HRH3MET
SCHEMBL2235501 0.79 HRH3 (0.39) CXCR3HRH3SMN1; SMN2METMEN1
SCHEMBL2234395 0.78 HRH3 (0.37) CXCR3HRH3
SCHEMBL2233132 0.75 PDE4B (0.43) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL2232756 0.71 MDM2 (0.36) P2RX7HRH3MDM2KCNH2MET
SCHEMBL2232219 0.71 KCNH2 (0.37) P2RX7HRH3MDM2KCNH2MET
SCHEMBL11920282 0.70 EP300 (0.41) HRH3MEN1NPC1RAB9AKMT2A

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 20 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
EP-2061794-B1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORP (US) 2012-12-05 EP 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 P2RX7 91/4885CXCR3 707/4885HRH3 94/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR P2RX7 91/4885CXCR3 707/4885HRH3 94/4885

“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.