SCHEMBL4904033

SCHEMBL4904033

COc1cccc(-c2nc(N)nc(O)c2C#N)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 14/20 0.77
ADORA2A P29274 14/20 0.77
ADORA2B P29275 4/20 0.77
MAPT P10636 1/20 0.70
RXFP1 Q9HBX9 1/20 0.70
HPGD P15428 2/20 0.58
HTT P42858 2/20 0.58
TP53 P04637 1/20 0.58
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
PIK3CG P48736 1/20 0.50

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
SCHEMBL5141277 0.85 ADORA2A (0.58) ADORA1ADORA2AADORA2BMAPTRXFP1
SCHEMBL4905916 0.85 ADORA1 (0.77) ADORA1ADORA2AADORA2BMAPTRXFP1
SCHEMBL15286448 0.83 ADORA1 (0.67) ADORA1ADORA2AADORA2BMAPTRXFP1
SCHEMBL6441069 0.82 RXFP1 (1.00) ADORA1ADORA2AADORA2BMAPTRXFP1
SCHEMBL4421002 0.82 RXFP1 (0.61) ADORA1ADORA2AADORA2BMAPTRXFP1
SCHEMBL4899129 0.82 ADORA1 (0.53) ADORA1ADORA2AADORA2BMAPTRXFP1
SCHEMBL4904046 0.81 ADORA1 (0.58) ADORA1ADORA2AADORA2BMAPTRXFP1
SCHEMBL7777554 0.80 ADORA2A (0.58) ADORA1ADORA2AADORA2BMAPTRXFP1
SCHEMBL7774476 0.80 ADORA2A (0.58) ADORA1ADORA2AADORA2BMAPTRXFP1
SCHEMBL7777497 0.80 ADORA2A (0.58) ADORA1ADORA2AADORA2BMAPTRXFP1

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.