SCHEMBL6283075

SCHEMBL6283075

CCc1nc(-c2ccc(OC)cc2OC)c(CC)nc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.61
ADORA2A P29274 1/20 0.55
ADORA1 P30542 1/20 0.55
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2E1 P05181 1/20 0.51
CYP3A4 P08684 1/20 0.51

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 0.90 CRHR1 (0.71) CRHR1ALDH1A1CYP1A1CYP1A2CYP2E1
SCHEMBL6285582 0.88 CRHR1 (0.58) CRHR1ADORA2AADORA1KDM4ESMN1; SMN2
SCHEMBL6286536 0.87 CRHR1 (0.57) CRHR1ADORA2AADORA1KDM4ESMN1; SMN2
SCHEMBL6287127 0.85 CRHR1 (0.60) CRHR1ADORA2AADORA1HSD17B10CYP1A1
SCHEMBL6281208 0.85 CRHR1 (0.60) CRHR1ADORA2AADORA1KDM4ESMN1; SMN2
SCHEMBL6346153 0.85 CRHR1 (0.65) CRHR1KDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL6278817 0.83 CRHR1 (0.54) CRHR1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL6286389 0.83 CRHR1 (0.58) CRHR1ADORA2AADORA1KDM4ESMN1; SMN2
SCHEMBL6345043 0.82 CRHR1 (0.62) CRHR1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL5412053 0.82 CRHR1 (0.62) CRHR1SMN1; SMN2TP53CYP1A1CYP1A2

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 2/4885ADORA2A 263/4885ADORA1 314/4885
US-20050176721-A1 2,5-Diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylprimidines CRHR2, CRHR1, CRH CRHR1 2/4885ADORA2A 268/4885ADORA1 363/4885

“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.