SCHEMBL3841833

SCHEMBL3841833

Cc1nc(-c2ccc(Cl)cc2Cl)c(C2CC2)nc1N[C@@H]1c2ccccc2C[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.39
CNR2 P34972 2/20 0.39
CRHR1 P34998 6/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
SMO Q99835 1/20 0.36
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MAPK1 P28482 2/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL3838038 0.92 CNR1 (0.39) CNR1CNR2CRHR1SMOAURKA
SCHEMBL3838891 0.89 CRHR1 (0.47) CNR1CNR2CRHR1CYP3A4CYP2C9
SCHEMBL3843277 0.89 CRHR1 (0.47) CNR1CNR2CRHR1CYP3A4CYP2C9
SCHEMBL3845074 0.89 CRHR1 (0.39) CNR1CNR2CRHR1CYP3A4CYP2C9
SCHEMBL6641175 0.89 CRHR1 (0.39) CNR1CNR2CRHR1CYP3A4CYP2C9
SCHEMBL3842502 0.88 CRHR1 (0.45) CNR1CNR2CRHR1
SCHEMBL6671628 0.88 CRHR1 (0.45) CNR1CNR2CRHR1
SCHEMBL6642069 0.85 CRHR1 (0.53) CNR1CNR2CRHR1
SCHEMBL3838545 0.85 CRHR1 (0.53) CNR1CNR2CRHR1
SCHEMBL3845625 0.85 CRHR1 (0.50) CRHR1

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 66/4885CNR2 72/4885CRHR1 27/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A CNR1 66/4885CNR2 72/4885CRHR1 27/4885

“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.