SCHEMBL6099734

SCHEMBL6099734

Cc1nc(-c2ccc(Cl)cc2Cl)c(C)nc1Oc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.49
CNR1 P21554 7/20 0.44
CNR2 P34972 7/20 0.44
CDC7 O00311 2/20 0.42
DBF4 Q9UBU7 2/20 0.42
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL5414792 0.74 CRHR1 (0.64) CRHR1
SCHEMBL7472347 0.73 CRHR1 (0.51) CRHR1CNR1
SCHEMBL4801849 0.73 CNR1 (0.48) CNR1CNR2CDC7DBF4CCNE1
SCHEMBL5414334 0.72 CRHR1 (0.46) CRHR1CNR1CNR2L3MBTL1
SCHEMBL5415195 0.72 CRHR1 (0.47) CRHR1CNR1CNR2
SCHEMBL6101843 0.71 CRHR1 (0.55) CRHR1HSD11B1
SCHEMBL5417698 0.71 CNR1 (0.51) CRHR1CNR1CNR2
SCHEMBL5421171 0.70 HTR2C (0.46) CRHR1HSD11B1
SCHEMBL5412305 0.70 CRHR1 (0.48) CRHR1CNR1CNR2
SCHEMBL5404091 0.70 FPR2 (0.43) CRHR1CNR1CNR2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 US claimed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 US claimed
US-7041672-B2 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC. (US) 2006-05-09 US disclosed
US-6992087-B2 Substituted aryl 1,4-pyrazine derivatives PFIZER INC (US) 2006-01-31 US disclosed
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 US disclosed
EP-1446387-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-08-18 EP disclosed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 US disclosed
WO-2003045924-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 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-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives HTR2C, HTR4, HTR5A CRHR1 27/4885CNR1 66/4885CNR2 72/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A CRHR1 27/4885CNR1 66/4885CNR2 72/4885

“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.