SCHEMBL4909805

SCHEMBL4909805

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.39
ADORA2A P29274 7/20 0.38
ADORA2B P29275 4/20 0.38
MAPK1 P28482 6/20 0.36
ACHE P22303 1/20 0.36
BRAF P15056 2/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CTSV O60911 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
SCHEMBL4911380 0.88 ADORA1 (0.39) ADORA1ADORA2AADORA2BMAPK1BRAF
SCHEMBL4908408 0.80 ALDH1A1 (0.42) ADORA1ADORA2AADORA2BMEN1ALDH1A1
SCHEMBL4899212 0.78 KDM1A (0.47) ADORA1ADORA2AACHEMEN1ALDH1A1
SCHEMBL4907249 0.78 KMT2A (0.41) ADORA1ADORA2AADORA2BACHEBRAF
SCHEMBL4906255 0.78 ADORA1 (0.47) ADORA1ADORA2AADORA2BACHEMEN1
SCHEMBL4898439 0.78 KDM1A (0.52) ADORA1ADORA2AADORA2BACHEBRAF
SCHEMBL4909018 0.77 ADORA1 (0.56) ADORA1ADORA2AADORA2BACHECTSV
SCHEMBL4906201 0.76 KMT2A (0.55) ADORA1ADORA2AADORA2BACHEMEN1
SCHEMBL4899380 0.76 ADORA1 (0.53) ADORA1ADORA2AADORA2BACHECYP1A2
SCHEMBL4911779 0.76 CTSK (0.40) ADORA1ADORA2AACHEMEN1KMT2A

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.