SCHEMBL4907932

SCHEMBL4907932

CN(C)C(=O)c1sc2nc(N)nc(-c3ccc(Cl)cc3)c2c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.57
PDE4A P27815 6/20 0.57
PDE4B Q07343 6/20 0.57
PDE4C Q08493 6/20 0.57
PDE4D Q08499 6/20 0.57
IKBKB O14920 1/20 0.48
LIMK1 P53667 1/20 0.48
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HSP90AB1 P08238 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
EEF2K O00418 1/20 0.42
LHCGR P22888 1/20 0.41

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
SCHEMBL14281529 0.86 BRAF (0.60) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4907028 0.85 BRAF (0.76) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4924993 0.84 BRAF (0.58) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4908958 0.77 BRAF (0.53) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281535 0.77 ALDH1A1 (0.54) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4909709 0.76 HSP90AB1 (0.67) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281350 0.76 BRAF (0.51) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281561 0.74 BRAF (0.54) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281346 0.74 BRAF (0.78) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281545 0.74 BRAF (0.80) 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 3 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
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.