SCHEMBL5409786

SCHEMBL5409786

COc1cc(OC(F)(F)F)ccc1-c1ncc(N)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.47
RUNX1 Q01196 2/20 0.46
SCN9A Q15858 1/20 0.43
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
CTSA P10619 1/20 0.38
GPR3 P46089 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL5541436 0.88 CRHR1 (0.41) CRHR1RUNX1ALOX5APFEN1GPR3
SCHEMBL14744212 0.77 ALOX5AP (0.47) SCN9AALOX5APFEN1CTSAALDH1A1
SCHEMBL5425106 0.74 CRHR1 (0.51) CRHR1RUNX1SCN9AALOX5APFEN1
SCHEMBL6203416 0.74 RUNX1 (0.40) CRHR1RUNX1SCN9ACTSA
SCHEMBL6203918 0.73 CRHR1 (0.48) CRHR1RUNX1SCN9AALOX5APFEN1
SCHEMBL5439627 0.73 CRHR1 (0.56) CRHR1RUNX1SCN9ACTSA
SCHEMBL4884652 0.73 CRHR1 (0.46) CRHR1RUNX1SCN9ACTSAGPR3
SCHEMBL4626672 0.73 CRHR1 (0.48) CRHR1RUNX1SCN9AGPR3ALDH1A1
SCHEMBL6286387 0.73 CRHR1 (0.61) CRHR1RUNX1SCN9AGPR3
SCHEMBL5409117 0.73 CRHR1 (0.48) CRHR1RUNX1SCN9ACTSA

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-6995161-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2006-02-07 US claimed
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-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 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

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-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885RUNX1 979/4885SCN9A 3623/4885
US-20030018035-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885RUNX1 1026/4885SCN9A 3692/4885

“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.