SCHEMBL2234518

SCHEMBL2234518

O=c1c2ncccc2nc(Oc2cccc(C(F)(F)F)c2F)n1-c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.37
HRH3 Q9Y5N1 4/20 0.37
MDM2 Q00987 1/20 0.36
CHEK2 O96017 1/20 0.36
KCNH2 Q12809 2/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
MET P08581 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.33
AXL P30530 2/20 0.33
TSHR P16473 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL2235579 0.90 P2RX7 (0.37) CXCR3HRH3MDM2KCNH2TRPV1
SCHEMBL2235501 0.84 HRH3 (0.39) CXCR3HRH3METMEN1KMT2A
SCHEMBL2233454 0.82 P2RY1 (0.45) HRH3MEN1KMT2A
SCHEMBL2233785 0.81 MET (0.40) HRH3MET
SCHEMBL2232756 0.81 MDM2 (0.36) HRH3MDM2CHEK2KCNH2NR1H2
SCHEMBL2232219 0.80 KCNH2 (0.37) HRH3MDM2KCNH2NR1H2NR1H3
SCHEMBL2234395 0.80 HRH3 (0.37) CXCR3HRH3PDE4B
SCHEMBL2233767 0.74 KCNH2 (0.35) HRH3MDM2KCNH2MET
SCHEMBL11920282 0.71 EP300 (0.41) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL2233132 0.71 PDE4B (0.43) 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 15 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 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 CXCR3 707/4885HRH3 94/4885MDM2 2660/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR CXCR3 707/4885HRH3 94/4885MDM2 2660/4885

“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.