SCHEMBL2235680

SCHEMBL2235680

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.36
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH1A3 P47895 1/20 0.33
BRD4 O60885 2/20 0.32
KDM1A O60341 2/20 0.32
CTSK P43235 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 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
SCHEMBL2234146 0.89 NCOA3 (0.36) ALDH1A2ALDH1A3
SCHEMBL2237875 0.88 MAOA (0.38)
SCHEMBL2235601 0.87 MAOB (0.38) CTSS
SCHEMBL2234576 0.85 CTSS (0.35) CTSSSLC22A12
SCHEMBL2234790 0.84 CTSS (0.36) CTSSSLC22A12GABRA1GABRG2GABRB3
SCHEMBL2235279 0.82 TRPV4 (0.41) ALDH1A2ALDH1A3
SCHEMBL2233133 0.81 NCOA3 (0.39)
SCHEMBL2233089 0.81 GRM1 (0.37)
SCHEMBL2235506 0.79 HTT (0.36) ALDH1A2ALDH1A3
SCHEMBL2236085 0.78 HTT (0.39) CTSSCTSK

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 13 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
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

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 1484/4885FNTA 4332/4885FNTB 3497/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR CTSS 1484/4885FNTA 4332/4885FNTB 3497/4885

“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.