SCHEMBL4628316

SCHEMBL4628316

COc1cc(OC(F)(F)F)ccc1-c1nc(Cl)c([N+](=O)[O-])cc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.43
SCN9A Q15858 2/20 0.42
TXNRD1 Q16881 1/20 0.41
EIF4E P06730 1/20 0.36
RUNX1 Q01196 1/20 0.36
S1PR1 P21453 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
GPR3 P46089 1/20 0.35
MERTK Q12866 1/20 0.35
SCN5A Q14524 1/20 0.35
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 2/20 0.35
DYRK1A Q13627 1/20 0.34

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
SCHEMBL6348992 0.88 CRHR1 (0.51) CRHR1SCN9ATXNRD1EIF4ERUNX1
SCHEMBL4628330 0.87 CRHR1 (0.43) CRHR1SCN9ATXNRD1EIF4ERUNX1
SCHEMBL4881928 0.85 CRHR1 (0.54) CRHR1SCN9ATXNRD1EIF4ERUNX1
SCHEMBL4628946 0.84 CRHR1 (0.41) CRHR1SCN9ATXNRD1EIF4ERUNX1
SCHEMBL14183023 0.80 CRHR1 (0.49) CRHR1SCN9ATXNRD1RUNX1SMN1; SMN2
SCHEMBL6343330 0.78 SCN9A (0.43) CRHR1SCN9ARUNX1SMN1; SMN2NPC1
SCHEMBL4885535 0.77 CRHR1 (0.52) CRHR1SCN9ARUNX1GPR3
SCHEMBL26094558 0.76 SCN9A (0.42) CRHR1SCN9AMEN1KMT2A
SCHEMBL6603304 0.75 CRHR1 (0.46) CRHR1SCN9ARUNX1SCN5A
SCHEMBL4626672 0.74 CRHR1 (0.48) CRHR1SCN9ARUNX1SMN1; SMN2NPC1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
EP-1734820-A4 IMIDAZOPYRAZINES, IMIDAZOPYRIDINES, AND IMIDAZOPYRIMIDINES AS CRF1 RECEPTOR LIGANDS NEUROGEN CORP (US) 2008-01-23 EP disclosed
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 US disclosed
EP-1734820-A2 IMIDAZOPYRAZINES, IMIDAZOPYRIDINES, AND IMIDAZOPYRIMIDINES AS CRF1 RECEPTOR LIGANDS Neurogen Corporation (US) 2006-12-27 EP disclosed
WO-2005115399-A2 IMIDAZOPYRAZINES, IMIDAZOPYRIDINES, ANS IMIDAZOPYRIMIDINES AS CRF1 RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-12-08 WO disclosed
US-20050176721-A1 2,5-Diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylprimidines HUANG JIANHUA (US) 2005-08-11 US disclosed
US-6887875-B2 Bind with high selectivity and/ or high affinity to CRF1 receptors (Corticotropin Releasing Factor 1 Receptors), useful for treating psychiatric and neurological diseases, including depression, anxiety and post trauma stress NEUROGEN CORPORATION (US) 2005-05-03 US disclosed
EP-1399428-A1 2,5-DIARYLPYRAZINES, 2,5-DIARYLPYRIDINES AND 2,5-DIARYLPYRIMIDINES AS CRF1 RECEPTOR MODULATORS Neurogen Corporation (US) 2004-03-24 EP disclosed
EP-1392302-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2004-03-03 EP disclosed
US-20030152520-A1 5-Substituted-2-arylpyridines NEUROGEN CORPORATION 2003-08-14 US disclosed
US-20030119844-A1 2,5-diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylpyrimidines NEUROGEN CORPORATION 2003-06-26 US disclosed
WO-2002100838-A1 2,5-DIARYLPYRAZINES, 2,5-DIARYLPYRIDINES AND 2,5-DIARYLPYRIMIDINES AS CRF1 RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-12-19 WO disclosed
WO-2002096421-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2002-12-05 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 (5 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-20030119844-A1 2,5-diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylpyrimidines CRHR2, CRHR1, CRH CRHR1 2/4885SCN9A 4209/4885TXNRD1 616/4885
US-20050176721-A1 2,5-Diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylprimidines CRHR2, CRHR1, CRH CRHR1 2/4885SCN9A 4071/4885TXNRD1 623/4885
US-20030152520-A1 5-Substituted-2-arylpyridines HTR5A, CRHR2, HTR2C CRHR1 5/4885SCN9A 3544/4885TXNRD1 465/4885
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands CRHR1, CRHR2, CRHBP CRHR1 1/4885SCN9A 4698/4885TXNRD1 316/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C CRHR1 2/4885SCN9A 3903/4885TXNRD1 572/4885

“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.