SCHEMBL2236085

SCHEMBL2236085

CCn1cnc2c(=O)n(-c3ccc(F)cc3)c(Oc3ccc(F)c(F)c3F)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
CDK1 P06493 3/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
AXL P30530 3/20 0.34
MET P08581 3/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL11920295 0.93 MAOA (0.36) HTTCTSSCTSKNPC1RAB9A
SCHEMBL2235223 0.93 NCOA3 (0.38) HTTNCOA3CDK1GAAL3MBTL1
SCHEMBL2233418 0.93 HTT (0.41) HTTNCOA3CDK1GAAL3MBTL1
SCHEMBL2234815 0.89 BRD4 (0.42) HTTNCOA3CDK1AXLMET
SCHEMBL2233232 0.88 HTT (0.37) HTTNCOA3CDK1GAAL3MBTL1
SCHEMBL2235855 0.88 HTT (0.39) HTTNCOA3CDK1GAAL3MBTL1
SCHEMBL2235271 0.87 MAT2A (0.43) HTTNCOA3CDK1LMNAMEN1
SCHEMBL2234146 0.86 NCOA3 (0.36) HTTNCOA3L3MBTL1HPGDTSHR
SCHEMBL11920297 0.85 BRD4 (0.40) HTTNCOA3GAAHPGDAXL
SCHEMBL2235092 0.84 HTT (0.39) HTTNCOA3CDK1GAAL3MBTL1

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 10 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-8003656-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2011-08-23 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
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-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

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 HTT 2063/4885NCOA3 841/4885CDK1 4196/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR HTT 2063/4885NCOA3 841/4885CDK1 4196/4885

“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.