SCHEMBL4898379

SCHEMBL4898379

Nc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(=O)Nc3ccccc3)sc2n1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.70
PDE4A P27815 9/20 0.70
PDE4B Q07343 9/20 0.70
PDE4C Q08493 9/20 0.70
PDE4D Q08499 9/20 0.70
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
FOXM1 Q08050 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL4908512 0.89 BRAF (0.73) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4908958 0.89 BRAF (0.53) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4923686 0.86 BRAF (0.77) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4911419 0.85 BRAF (0.75) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4924193 0.82 BRAF (1.00) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281545 0.82 BRAF (0.80) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281557 0.79 BRAF (0.76) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4902909 0.76 BRAF (0.82) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281420 0.75 BRAF (0.76) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281638 0.75 BRAF (0.64) 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.