SCHEMBL6286387

SCHEMBL6286387

COc1ccc(-c2nc(C)c(-c3ccc(OC(F)(F)F)cc3OC)nc2C)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.61
RUNX1 Q01196 1/20 0.46
GPR3 P46089 2/20 0.44
CYP1A1 P04798 4/20 0.43
CYP1B1 Q16678 4/20 0.43
SCN9A Q15858 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP4B1 P13584 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP3A5 P20815 1/20 0.43
CYP2A7 P20853 1/20 0.43
CYP3A7 P24462 1/20 0.43
CYP2F1 P24903 1/20 0.43
CYP2C18 P33260 1/20 0.43

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
SCHEMBL5751614 0.81 CRHR1 (0.58) CRHR1RUNX1GPR3SCN9A
SCHEMBL5751609 0.81 CRHR1 (0.54) CRHR1RUNX1GPR3SCN9A
SCHEMBL5752602 0.80 CRHR1 (0.53) CRHR1RUNX1GPR3SCN9A
SCHEMBL6350604 0.79 CRHR1 (0.48) CRHR1CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL14183021 0.79 CRHR1 (0.53) CRHR1RUNX1GPR3SCN9AHSD17B10
SCHEMBL5752597 0.79 CRHR1 (0.53) CRHR1RUNX1GPR3SCN9A
SCHEMBL5795435 0.79 CRHR1 (0.52) CRHR1RUNX1GPR3SCN9A
SCHEMBL5434283 0.79 CRHR1 (0.68) CRHR1SCN9A
SCHEMBL5793465 0.79 CRHR1 (0.52) CRHR1RUNX1GPR3SCN9A
SCHEMBL6285490 0.78 CRHR1 (0.53) CRHR1GPR3CYP1A1CYP1B1CYP1A2

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 10 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 claimed
JP-2005500286-A 2005-01-06 JP claimed
EP-1399428-A1 2,5-DIARYLPYRAZINES, 2,5-DIARYLPYRIDINES AND 2,5-DIARYLPYRIMIDINES AS CRF1 RECEPTOR MODULATORS Neurogen Corporation (US) 2004-03-24 EP claimed
US-20030119844-A1 2,5-diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylpyrimidines NEUROGEN CORPORATION 2003-06-26 US claimed
WO-2002100838-A1 2,5-DIARYLPYRAZINES, 2,5-DIARYLPYRIDINES AND 2,5-DIARYLPYRIMIDINES AS CRF1 RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-12-19 WO claimed
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 1461/4885GPR3 123/4885
US-20050176721-A1 2,5-Diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylprimidines CRHR2, CRHR1, CRH CRHR1 2/4885RUNX1 1744/4885GPR3 123/4885

“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.