SCHEMBL4911380

SCHEMBL4911380

N#Cc1c(O)nc(NC2CC2)nc1-c1ccc2c(c1)OCC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.39
ADORA2A P29274 8/20 0.39
ADORA2B P29275 3/20 0.38
BRAF P15056 6/20 0.33
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
MAPK1 P28482 2/20 0.33
OGA O60502 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4909805 0.88 ADORA1 (0.39) ADORA1ADORA2AADORA2BBRAFPDE4A
SCHEMBL4908408 0.81 ALDH1A1 (0.42) ADORA1ADORA2AADORA2B
SCHEMBL4907550 0.78 BRAF (0.42) ADORA1ADORA2AADORA2BBRAFPDE4A
SCHEMBL4909542 0.73 CTSS (0.47) ADORA1ADORA2AADORA2BBRAF
SCHEMBL4900864 0.73 MAPT (0.45) ADORA1ADORA2APDE4BCYP1A2
SCHEMBL4908567 0.72 ADORA2A (0.57) ADORA1ADORA2AADORA2BBRAFPDE4A
SCHEMBL4898242 0.71 CTSL (0.50) ADORA1ADORA2ABRAFPDE4APDE4B
SCHEMBL4907704 0.70 BRAF (0.69) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL14281650 0.69 BRAF (0.61) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4911723 0.69 CTSK (0.37) ADORA1ADORA2AADORA2BBRAFPDE4A

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 ADORA1 529/4885ADORA2A 837/4885ADORA2B 953/4885

“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.