SCHEMBL4908199

SCHEMBL4908199

COc1cncc(-c2nc(C)nc3sc(C(N)=O)c(N)c23)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.70
PDE4A P27815 6/20 0.70
PDE4B Q07343 6/20 0.70
PDE4C Q08493 6/20 0.70
PDE4D Q08499 6/20 0.70
IKBKB O14920 7/20 0.48
LIMK1 P53667 2/20 0.48
CHUK O15111 1/20 0.48
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
BTK Q06187 1/20 0.48
CDK8 P49336 2/20 0.47
CDK19 Q9BWU1 2/20 0.47
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL4904239 0.98 BRAF (0.68) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281751 0.91 BRAF (0.59) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4909310 0.90 BRAF (0.71) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4907129 0.89 BRAF (0.56) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4908318 0.88 BRAF (0.57) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4907114 0.86 BRAF (0.67) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4903891 0.83 BRAF (0.75) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4908446 0.83 BRAF (0.75) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4908816 0.83 BRAF (0.63) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4898970 0.83 IKBKB (0.52) BRAFPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 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 (1 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF BRAF 3/4885PDE4A 1/4885PDE4B 2/4885

“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.