SCHEMBL4909592

SCHEMBL4909592

N#Cc1c(Cl)ncnc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 10/20 0.53
MAPK14 Q16539 1/20 0.41
AHR P35869 1/20 0.41
ADORA2A P29274 2/20 0.40
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
ADORA1 P30542 1/20 0.38
IDO1 P14902 2/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
ALOX15 P16050 1/20 0.37
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL4908824 0.84 KMO (0.50) KMOMAPK14AHRADORA2ABRAF
SCHEMBL4905882 0.75 KMT2A (0.49) KMOMAPK14ADORA2AADORA1ALOX15
SCHEMBL1937376 0.75 KMO (0.63) KMOAHRBRAFPDE4APDE4B
SCHEMBL14742017 0.75 KMO (0.63) KMOAHRBRAFPDE4APDE4B
SCHEMBL4909656 0.74 KMO (0.46) KMOADORA2AADORA1ALOX15
SCHEMBL287569 0.72 ALDH1A1 (0.39) KMOPDE4APDE4BPDE4CPDE4D
SCHEMBL4904156 0.72 PDE4D (0.47) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL4907471 0.72 KDM1A (0.47) KMOMAPK14ADORA2AADORA1IDO1
SCHEMBL4906040 0.72 CYP1A2 (0.71) MAPK14DCUN1D1
SCHEMBL4906062 0.71 KMT2A (0.39) KMOMAPK14ADORA2AADORA1DCUN1D1

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 KMO 3826/4885MAPK14 575/4885AHR 3502/4885

“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.