SCHEMBL6286768

SCHEMBL6286768

CCc1nc(-c2ccccc2C(F)(F)F)c(CC)nc1-c1ccc(OC)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.57
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
USP2 O75604 1/20 0.46
CYP2D6 P10635 1/20 0.46
TRPA1 O75762 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
PDE2A O00408 1/20 0.43
PDE10A Q9Y233 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
SCHEMBL6283374 0.84 CRHR1 (0.71) CRHR1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6281208 0.83 CRHR1 (0.60) CRHR1CYP1A2CYP3A4ALOX15TSHR
SCHEMBL6283075 0.81 CRHR1 (0.61) CRHR1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6346373 0.81 CRHR1 (0.56) CRHR1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6286389 0.81 CRHR1 (0.58) CRHR1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6278817 0.81 CRHR1 (0.54) CRHR1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL5412053 0.80 CRHR1 (0.62) CRHR1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6346153 0.79 CRHR1 (0.65) CRHR1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6281216 0.78 CRHR1 (0.58) CRHR1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL6285582 0.78 CRHR1 (0.58) CRHR1CYP1A2CYP3A4CYP2C19CYP2D6

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 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

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 2/4885CYP1A2 1450/4885CYP3A4 3182/4885
US-20050176721-A1 2,5-Diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylprimidines CRHR2, CRHR1, CRH CRHR1 2/4885CYP1A2 1413/4885CYP3A4 3126/4885

“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.