SCHEMBL3843776

SCHEMBL3843776

CCc1nc(N[C@@H]2c3ccccc3C[C@@H]2O)c(C2CC2)nc1Br

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL6642894 1.00 CRHR1 (0.39) CRHR1AURKARPS6KB1JAK2JAK1
SCHEMBL6649037 0.88 CRHR1 (0.46) CRHR1AURKARPS6KB1
SCHEMBL3843531 0.88 CRHR1 (0.46) CRHR1AURKARPS6KB1
SCHEMBL3845342 0.88 CRHR1 (0.46) CRHR1AURKARPS6KB1
SCHEMBL3843362 0.87 CRHR1 (0.41) CRHR1AURKARPS6KB1
SCHEMBL3841610 0.87 AURKA (0.41) CRHR1AURKARPS6KB1JAK2JAK1
SCHEMBL3839117 0.87 AURKA (0.42) AURKARPS6KB1JAK2JAK1TYK2
SCHEMBL6670594 0.87 AURKA (0.42) AURKARPS6KB1JAK2JAK1TYK2
SCHEMBL3838008 0.86 CRHR1 (0.43) CRHR1AURKARPS6KB1CYP3A4CYP2C9
SCHEMBL6669380 0.86 CRHR1 (0.43) CRHR1AURKARPS6KB1CYP3A4CYP2C9

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 CRHR1 27/4885AURKA 3180/4885RPS6KB1 2006/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A CRHR1 27/4885AURKA 3180/4885RPS6KB1 2006/4885

“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.