SCHEMBL5409112

SCHEMBL5409112

COc1cc(OC(F)(F)F)ccc1-c1ncc(NC=O)nc1OC

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.50
SCN9A Q15858 3/20 0.44
RUNX1 Q01196 2/20 0.43
ALPL P05186 1/20 0.38
ABL1 P00519 5/20 0.37
KCNH2 Q12809 1/20 0.36
PAX8 Q06710 1/20 0.36
CTSA P10619 1/20 0.35

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
SCHEMBL5420406 0.82 CRHR1 (0.68) CRHR1SCN9ARUNX1
SCHEMBL5417862 0.81 CRHR1 (0.49) CRHR1SCN9ARUNX1
SCHEMBL7480917 0.81 CRHR1 (0.51) CRHR1SCN9ARUNX1ABL1
SCHEMBL5409117 0.78 CRHR1 (0.48) CRHR1SCN9ARUNX1ALPLABL1
SCHEMBL6203918 0.74 CRHR1 (0.48) CRHR1SCN9ARUNX1ALPLCTSA
SCHEMBL5752602 0.74 CRHR1 (0.53) CRHR1SCN9ARUNX1ALPLABL1
SCHEMBL5751668 0.73 CRHR1 (0.46) CRHR1SCN9ARUNX1ALPLABL1
SCHEMBL7160526 0.72 CRHR1 (0.46) CRHR1SCN9ARUNX1
SCHEMBL5431714 0.72 CRHR1 (0.69) CRHR1SCN9ARUNX1
SCHEMBL14619741 0.71 CRHR1 (0.54) CRHR1SCN9ARUNX1ABL1

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 14 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-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
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-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
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 1/4885SCN9A 3623/4885RUNX1 979/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885SCN9A 3623/4885RUNX1 979/4885
US-20030018035-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885SCN9A 3692/4885RUNX1 1026/4885

“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.