SCHEMBL4909570

SCHEMBL4909570

CC(C)Cc1nc(O)c(C#N)c(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
KDM1A O60341 2/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
DCUN1D1 Q96GG9 3/20 0.37
MAPK14 Q16539 1/20 0.36
KMO O15229 2/20 0.36
BIRC5 O15392 1/20 0.35
ALOX15 P16050 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4907514 0.88 KDM1A (0.50) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4906965 0.81 CA12 (0.39) KDM1ACA12CA1CA2CA9
SCHEMBL4905810 0.81 BRAF (0.36) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4907768 0.81 BRAF (0.36) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4905816 0.81 BRAF (0.36) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4908950 0.80 MAPK14 (0.36) CA12CA1CA2CA9LDHA
SCHEMBL4908047 0.79 KMO (0.42) CA12CA1CA2CA9LDHA
SCHEMBL4907044 0.79 ADORA1 (0.48) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4903971 0.76 KMT2A (0.53) KDM1ACA12CA1CA2CA9
SCHEMBL4904088 0.72 MAPK14 (0.38) CA12CA1CA2CA9DCUN1D1

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
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP 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.