SCHEMBL2234576

SCHEMBL2234576

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Oc3ccc(C#N)c(F)c3F)nc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
GAA P10253 3/20 0.34
GLA P06280 1/20 0.34
SLC22A12 Q96S37 3/20 0.34
MEN1 O00255 3/20 0.33
HPGD P15428 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MET P08581 2/20 0.32
P2RX3 P56373 2/20 0.32
SCN9A Q15858 1/20 0.31

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
SCHEMBL2234790 0.92 CTSS (0.36) CTSSKDM4EALDH1A1SLC22A12MEN1
SCHEMBL2237875 0.88 MAOA (0.38) MAOAMAOBALDH1A1MEN1HPGD
SCHEMBL2235680 0.85 CTSS (0.36) CTSSSLC22A12
SCHEMBL2233089 0.83 GRM1 (0.37) MAOAMAOBALDH1A1GLAMEN1
SCHEMBL2234654 0.82 MET (0.41) MAOAMAOBSMN1; SMN2METSCN9A
SCHEMBL2237841 0.81 MET (0.39) MAOAMAOBSMN1; SMN2METSCN9A
SCHEMBL2234146 0.81 NCOA3 (0.36) MAOAMAOBKDM4EALDH1A1GLA
SCHEMBL2234500 0.81 GSR (0.38) MAOAMAOBALDH1A1KMT2ASMN1; SMN2
SCHEMBL2232780 0.81 GSR (0.41) MAOAMAOBALDH1A1KMT2ALMNA
SCHEMBL2234572 0.81 GSR (0.41) MAOAMAOBMET

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
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
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 CTSS 1484/4885MAOA 1369/4885MAOB 1164/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR CTSS 1484/4885MAOA 1369/4885MAOB 1164/4885

“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.