SCHEMBL5409117

SCHEMBL5409117

COc1cc(OC(F)(F)F)ccc1-c1ncc(C(N)=O)nc1OC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.48
RUNX1 Q01196 1/20 0.43
SCN10A Q9Y5Y9 4/20 0.42
ALPL P05186 1/20 0.41
SCN9A Q15858 4/20 0.41
CTSA P10619 1/20 0.39
ABL1 P00519 3/20 0.39
FPR2 P25090 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL5409112 0.78 CRHR1 (0.50) CRHR1RUNX1ALPLSCN9ACTSA
SCHEMBL6203918 0.77 CRHR1 (0.48) CRHR1RUNX1SCN10AALPLSCN9A
SCHEMBL7160526 0.74 CRHR1 (0.46) CRHR1RUNX1SCN9A
SCHEMBL5420406 0.74 CRHR1 (0.68) CRHR1RUNX1SCN9A
SCHEMBL14619741 0.74 CRHR1 (0.54) CRHR1RUNX1SCN9AABL1
SCHEMBL5417862 0.73 CRHR1 (0.49) CRHR1RUNX1SCN9A
SCHEMBL5409786 0.73 CRHR1 (0.47) CRHR1RUNX1SCN9ACTSA
SCHEMBL7480917 0.72 CRHR1 (0.51) CRHR1RUNX1SCN9AABL1
SCHEMBL4878756 0.71 CRHR1 (0.55) CRHR1RUNX1SCN9A
SCHEMBL5406519 0.71 CRHR1 (0.68) CRHR1RUNX1SCN9A

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
EP-1500653-A1 Substituted arylpyrazines Neurogen Corporation (US) 2005-01-26 EP claimed
US-20030018035-A1 Substituted arylpyrazines NEUROGEN CORPORATION 2003-01-23 US claimed
EP-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 EP claimed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 WO claimed
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed
US-6995161-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2006-02-07 US disclosed
US-20050215559-A1 Substituted arylpyrazines NEUROGEN CORPORATION 2005-09-29 US disclosed
EP-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 EP disclosed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 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 (3 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-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885RUNX1 979/4885SCN10A 2197/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885RUNX1 979/4885SCN10A 2197/4885
US-20030018035-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885RUNX1 1026/4885SCN10A 2287/4885

“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.