SCHEMBL4628829

SCHEMBL4628829

COc1cc(OC(F)(F)F)ccc1-c1nc2[nH]cnc2cc1C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.47
RUNX1 Q01196 2/20 0.43
SCN9A Q15858 1/20 0.41
GPR3 P46089 2/20 0.36
ALPL P05186 1/20 0.36
ABL1 P00519 1/20 0.36
P2RX7 Q99572 3/20 0.36
POLB P06746 1/20 0.35
IL1B P01584 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
SCHEMBL5438286 0.76 CRHR1 (0.45) CRHR1RUNX1SCN9AGPR3ABL1
SCHEMBL4626672 0.75 CRHR1 (0.48) CRHR1RUNX1SCN9AGPR3
SCHEMBL4878756 0.74 CRHR1 (0.55) CRHR1RUNX1SCN9AGPR3
SCHEMBL6343532 0.74 CRHR1 (0.55) CRHR1RUNX1SCN9AGPR3P2RX7
SCHEMBL6286387 0.73 CRHR1 (0.61) CRHR1RUNX1SCN9AGPR3
SCHEMBL4884652 0.73 CRHR1 (0.46) CRHR1RUNX1SCN9AGPR3ABL1
SCHEMBL6344985 0.73 CRHR1 (0.47) CRHR1RUNX1SCN9AGPR3ALPL
SCHEMBL4882817 0.72 CRHR1 (0.59) CRHR1RUNX1SCN9AGPR3
SCHEMBL6602770 0.71 CRHR1 (0.54) CRHR1RUNX1SCN9A
SCHEMBL4882797 0.71 CRHR1 (0.56) CRHR1SCN9AP2RX7

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 1/4885RUNX1 1849/4885SCN9A 4698/4885

“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.