SCHEMBL4901019

SCHEMBL4901019

N#Cc1cccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.78
PDE4A P27815 11/20 0.78
PDE4B Q07343 11/20 0.78
PDE4C Q08493 11/20 0.78
PDE4D Q08499 11/20 0.78

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
SCHEMBL14281592 0.92 BRAF (0.67) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4909118 0.88 BRAF (1.00) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281410 0.87 BRAF (1.00) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4909015 0.87 BRAF (1.00) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4908606 0.87 BRAF (0.83) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4904154 0.86 BRAF (0.82) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4932831 0.85 BRAF (0.82) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281400 0.84 BRAF (1.00) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4907864 0.84 BRAF (1.00) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14466760 0.83 BRAF (0.84) 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.