SCHEMBL4093068

SCHEMBL4093068

Cc1csc2c(=O)n(-c3ccc(F)cc3)c(Oc3c(F)ccc(F)c3F)nc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 6/20 0.38
KDM4E B2RXH2 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TGM2 P21980 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
KCNH2 Q12809 1/20 0.33
POLB P06746 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PDE5A O76074 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
SCHEMBL4090131 0.88 GRM1 (0.37) GRM1KDM4ENPSR1MEN1KMT2A
SCHEMBL4083548 0.83 GRM1 (0.43) GRM1KDM4ENPSR1MEN1KMT2A
SCHEMBL2236075 0.82 GRM1 (0.47) GRM1KDM4ENPSR1MEN1KMT2A
SCHEMBL2235793 0.82 MEN1 (0.39) GRM1KDM4ENPSR1MEN1KMT2A
SCHEMBL4098553 0.81 POLB (0.40) GRM1MEN1KMT2ASMN1; SMN2KCNH2
SCHEMBL2234987 0.81 GRM1 (0.43) GRM1KDM4ENPSR1MEN1KMT2A
SCHEMBL11908071 0.81 GRM1 (0.40) GRM1KDM4ENPSR1MEN1KMT2A
SCHEMBL2232507 0.80 NPBWR1 (0.42) GRM1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2237067 0.79 GRM1 (0.41) GRM1KDM4ENPSR1MEN1KMT2A
SCHEMBL2237018 0.78 GRM1 (0.40) GRM1KDM4ENPSR1MEN1KMT2A

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 17 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-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
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-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 GRM1 239/4885KDM4E 3449/4885NPSR1 219/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR GRM1 239/4885KDM4E 3449/4885NPSR1 219/4885

“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.