SCHEMBL14281981

SCHEMBL14281981

COc1cc(OC(F)(F)F)ccc1-c1ncc(Cl)c(O)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 7/20 0.44
▸ SCN9A Q15858 3/20 0.44
▸ CRHR1 P34998 3/20 0.43
▸ RUNX1 Q01196 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ FOXO1 Q12778 1/20 0.40
▸ ALPL P05186 2/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39

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
SCHEMBL4628366 0.81 SCN9A (0.43) SCN9ACRHR1
SCHEMBL14281980 0.80 CRHR1 (0.56) ABL1CRHR1RUNX1
SCHEMBL14281982 0.79 CRHR1 (0.43) ABL1SCN9ACRHR1RUNX1KCNH2
SCHEMBL14281979 0.76 CRHR1 (0.56) CRHR1
SCHEMBL14281983 0.74 CRHR1 (0.44) ABL1SCN9ACRHR1RUNX1
SCHEMBL5409786 0.72 CRHR1 (0.47) SCN9ACRHR1RUNX1
SCHEMBL24986581 0.72 CRHR1 (0.47) ABL1SCN9ACRHR1KCNH2FOXO1
SCHEMBL30185245 0.72 CRHR1 (0.47) ABL1SCN9ACRHR1KCNH2FOXO1
SCHEMBL14281978 0.72 CRHR1 (0.57) CRHR1RUNX1
SCHEMBL22366823 0.71 LRRK2 (0.47) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ABL1 3189/4885SCN9A 4698/4885CRHR1 1/4885

“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.

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