SCHEMBL4628330

SCHEMBL4628330

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

nearest known ligand 0.43

Predicted protein targets (top 20)

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
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
LYN P07948 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
BLK P51451 1/20 0.36
GPR3 P46089 1/20 0.35
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
SCHEMBL4628946 0.96 CRHR1 (0.41) CRHR1SCN9ATXNRD1EIF4ERUNX1
SCHEMBL6348992 0.88 CRHR1 (0.51) CRHR1SCN9ATXNRD1EIF4ERUNX1
SCHEMBL4628316 0.87 CRHR1 (0.43) CRHR1SCN9ATXNRD1EIF4ERUNX1
SCHEMBL4881928 0.85 CRHR1 (0.54) CRHR1SCN9ATXNRD1EIF4ERUNX1
SCHEMBL4626672 0.83 CRHR1 (0.48) CRHR1SCN9ARUNX1GPR3SCN5A
SCHEMBL6343330 0.78 SCN9A (0.43) CRHR1SCN9ARUNX1ABL1GPR3
SCHEMBL14183023 0.78 CRHR1 (0.49) CRHR1SCN9ATXNRD1RUNX1GPR3
SCHEMBL4878756 0.78 CRHR1 (0.55) CRHR1SCN9ARUNX1GPR3SCN5A
SCHEMBL26092497 0.76 ALOX5AP (0.43) CRHR1SCN9AMEN1KMT2A
SCHEMBL4882817 0.75 CRHR1 (0.59) CRHR1SCN9ARUNX1GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands CRHR1, CRHR2, CRHBP CRHR1 1/4885SCN9A 4698/4885TXNRD1 316/4885

“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.