SCHEMBL4908950

SCHEMBL4908950

N#Cc1c(O)nc(CC2CC2)nc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.36
DCUN1D1 Q96GG9 2/20 0.35
KMO O15229 2/20 0.35
XDH P47989 1/20 0.35
ALOX15 P16050 2/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
GRM5 P41594 3/20 0.34
ADORA2A P29274 3/20 0.33
ADORA1 P30542 2/20 0.33
ABL1 P00519 2/20 0.33
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
ADORA2B P29275 1/20 0.33
GRM2 Q14416 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL4903865 0.88 KDM1A (0.41) MAPK14DCUN1D1KMOXDHALOX15
SCHEMBL4909570 0.80 BRAF (0.39) MAPK14DCUN1D1KMOXDHALOX15
SCHEMBL4908636 0.79 ADORA2B (0.50) ALOX15CA12CA1CA2CA9
SCHEMBL4904088 0.79 MAPK14 (0.38) MAPK14DCUN1D1KMOALOX15CA12
SCHEMBL4908047 0.76 KMO (0.42) MAPK14DCUN1D1KMOALOX15CA12
SCHEMBL4906965 0.73 CA12 (0.39) MAPK14DCUN1D1KMOALOX15CA12
SCHEMBL4903971 0.73 KMT2A (0.53) MAPK14DCUN1D1KMOALOX15CA12
SCHEMBL4908824 0.70 KMO (0.50) MAPK14DCUN1D1KMOALOX15ADORA2A
SCHEMBL4907768 0.69 BRAF (0.36) KMOCA12CA1CA2CA9
SCHEMBL4905810 0.69 BRAF (0.36) KMOCA12CA1CA2CA9

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 MAPK14 575/4885DCUN1D1 3508/4885KMO 3826/4885

“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.