SCHEMBL5794036

SCHEMBL5794036

CCC(CC)Oc1n[nH]c2nc(C)c(-c3ccc(OC(F)(F)F)cc3OC)nc12

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.58
SCN9A Q15858 1/20 0.35
RUNX1 Q01196 1/20 0.34
PDE2A O00408 2/20 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
SCHEMBL5434283 0.83 CRHR1 (0.68) CRHR1SCN9A
SCHEMBL5445901 0.82 CRHR1 (0.62) CRHR1SCN9A
SCHEMBL5438230 0.82 CRHR1 (0.64) CRHR1SCN9A
SCHEMBL5793465 0.81 CRHR1 (0.52) CRHR1SCN9ARUNX1PDE2A
SCHEMBL5434571 0.79 CRHR1 (0.55) CRHR1SCN9APDE2A
SCHEMBL5795435 0.77 CRHR1 (0.52) CRHR1SCN9ARUNX1
SCHEMBL5464166 0.77 CRHR1 (0.60) CRHR1SCN9A
SCHEMBL5435300 0.77 CRHR1 (0.60) CRHR1SCN9A
SCHEMBL5435133 0.77 CRHR1 (0.60) CRHR1SCN9A
SCHEMBL5794642 0.77 CRHR1 (0.51) CRHR1SCN9APDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675858-A2 5-ARYL-PYRAZOLO [4,3-D] PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2006-07-05 EP disclosed
US-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds NEUROGEN CORPORATION 2005-03-31 US disclosed
WO-2005028480-A2 5-ARYL-PYRAZOLO[4,3-D]PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2005-03-31 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-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds CRHR1, HTR5A, HTR1D CRHR1 1/4885SCN9A 4527/4885RUNX1 1819/4885

“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.