SCHEMBL4907993

SCHEMBL4907993

CNc1nc(-c2ccc(Cl)c(Cl)c2)c2cc(C(N)=O)sc2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.65
PDE4A P27815 10/20 0.65
PDE4B Q07343 10/20 0.65
PDE4C Q08493 10/20 0.65
PDE4D Q08499 10/20 0.65
HSP90AB1 P08238 4/20 0.43
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CSNK2A2 P19784 1/20 0.40
KDR P35968 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
PKM P14618 1/20 0.39
RCE1 Q9Y256 1/20 0.39
RIPK2 O43353 1/20 0.38

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
SCHEMBL14281560 0.90 BRAF (0.57) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281356 0.89 BRAF (0.56) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4906976 0.85 BRAF (0.53) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14466579 0.85 BRAF (0.66) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14467257 0.84 BRAF (0.52) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4904073 0.83 BRAF (0.62) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281373 0.82 BRAF (0.46) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14466585 0.81 ADORA1 (0.47) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281368 0.79 ALDH1A1 (0.44) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281385 0.79 BRAF (0.53) 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 6 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
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
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.