SCHEMBL4909779

SCHEMBL4909779

CNC(=O)c1sc2nc(N)nc(-c3ccc(Cl)cc3Cl)c2c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.55
BRAF P15056 2/20 0.51
PDE4A P27815 2/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
CHRM4 P08173 3/20 0.44
SCN10A Q9Y5Y9 2/20 0.44
IKBKB O14920 1/20 0.43
LIMK1 P53667 1/20 0.43
CDC7 O00311 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
DBF4 Q9UBU7 2/20 0.43
CCNT1 O60563 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK1A1 P48729 1/20 0.43

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
SCHEMBL4906991 0.89 BRAF (0.56) HSP90AB1BRAFPDE4APDE4BPDE4C
SCHEMBL4909206 0.85 BRAF (0.59) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4924993 0.84 BRAF (0.58) HSP90AB1BRAFPDE4APDE4BPDE4C
SCHEMBL4907696 0.82 BRAF (0.56) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4923686 0.81 BRAF (0.77) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14317541 0.80 BRAF (0.53) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281613 0.77 BRAF (0.59) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14307112 0.76 BRAF (0.57) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4909646 0.75 BRAF (0.50) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281396 0.75 BRAF (0.71) 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 HSP90AB1 1347/4885BRAF 3/4885PDE4A 1/4885

“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.