SCHEMBL4906952

SCHEMBL4906952

COCCNc1nc(-c2ccc(Cl)cc2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.63
PDE4A P27815 13/20 0.63
PDE4B Q07343 13/20 0.63
PDE4C Q08493 13/20 0.63
PDE4D Q08499 13/20 0.63
IKBKB O14920 1/20 0.51
LIMK1 P53667 1/20 0.51

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
SCHEMBL5076138 0.92 BRAF (0.53) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281530 0.92 BRAF (0.53) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4915965 0.90 BRAF (0.57) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4908489 0.90 BRAF (0.79) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281346 0.84 BRAF (0.78) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4907574 0.84 BRAF (0.77) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281537 0.82 ALDH1A1 (0.49) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281710 0.82 BRAF (0.68) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4907064 0.80 BRAF (0.52) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4903000 0.78 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.