SCHEMBL3839744

SCHEMBL3839744

COC(=O)c1nc(N[C@@H]2c3ccccc3C[C@@H]2O)c(OC)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.42
CRHR1 P34998 4/20 0.39
CNR2 P34972 2/20 0.39
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
MAPK10 P53779 1/20 0.36
SMO Q99835 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL6646501 0.95 CNR1 (0.42) CNR1CRHR1CNR2MAPK1MEN1
SCHEMBL3843177 0.93 CRHR1 (0.41) CNR1CRHR1CNR2MAPK1MEN1
SCHEMBL3843269 0.90 CNR1 (0.39) CNR1CNR2MAPK1MEN1ALDH1A1
SCHEMBL13616695 0.89 CRHR1 (0.50) CNR1CRHR1CNR2MAPK1AURKA
SCHEMBL3845176 0.88 CRHR1 (0.45) CNR1CRHR1CNR2SLC6A3
SCHEMBL3845985 0.88 CRHR1 (0.45) CNR1CRHR1
SCHEMBL13616936 0.84 AURKA (0.41) CNR1CRHR1CNR2MAPK1AURKA
SCHEMBL3841623 0.83 CNR1 (0.40) CNR1CNR2MAPK1MEN1ALDH1A1
SCHEMBL3841630 0.81 CRHR1 (0.43) CNR1CRHR1CNR2MAPK1AURKA
SCHEMBL3839312 0.80 CRHR1 (0.43) CNR1CRHR1

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
EP-1446387-B1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN CO LLC (US) 2009-11-04 EP disclosed
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
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 US 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 CNR1 66/4885CRHR1 27/4885CNR2 72/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A CNR1 66/4885CRHR1 27/4885CNR2 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.