SCHEMBL6344985

SCHEMBL6344985

CONc1cnc(-c2ccc(OC(F)(F)F)cc2OC)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.47
RUNX1 Q01196 1/20 0.43
ABL1 P00519 6/20 0.41
GPR3 P46089 1/20 0.40
SCN9A Q15858 2/20 0.40
KCNH2 Q12809 1/20 0.40
ALPL P05186 2/20 0.39
DHODH Q02127 2/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL4884652 0.82 CRHR1 (0.46) CRHR1RUNX1ABL1GPR3SCN9A
SCHEMBL5749486 0.82 CRHR1 (0.48) CRHR1RUNX1ABL1GPR3SCN9A
SCHEMBL4884766 0.79 CRHR1 (0.51) CRHR1RUNX1GPR3SCN9A
SCHEMBL6343330 0.77 SCN9A (0.43) CRHR1RUNX1ABL1GPR3SCN9A
SCHEMBL6609362 0.76 CRHR1 (0.46) CRHR1RUNX1GPR3SCN9A
SCHEMBL5804121 0.76 CRHR1 (0.51) CRHR1RUNX1SCN9AALPL
SCHEMBL6081651 0.76 CRHR1 (0.47) CRHR1RUNX1ABL1SCN9AALPL
SCHEMBL5804119 0.75 CRHR1 (0.46) CRHR1RUNX1ABL1SCN9AALPL
SCHEMBL4628829 0.73 CRHR1 (0.47) CRHR1RUNX1ABL1GPR3SCN9A
SCHEMBL4626672 0.72 CRHR1 (0.48) CRHR1RUNX1GPR3SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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

For each of this compound's patents that has machine-readable text (2 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 2/4885RUNX1 1461/4885ABL1 2415/4885
US-20050176721-A1 2,5-Diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylprimidines CRHR2, CRHR1, CRH CRHR1 2/4885RUNX1 1744/4885ABL1 2385/4885

“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.