SCHEMBL4904046

SCHEMBL4904046

N#Cc1c(O)nc(N)nc1-c1cccc(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.58
ADORA2A P29274 12/20 0.58
ADORA2B P29275 6/20 0.58
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.48
IGF1R P08069 1/20 0.47
BACE1 P56817 1/20 0.47
SQOR Q9Y6N5 1/20 0.46
MAOB P27338 1/20 0.45
NSD2 O96028 1/20 0.45
AS3MT Q9HBK9 1/20 0.45

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
SCHEMBL4907138 0.87 ADORA1 (0.58) ADORA1ADORA2AADORA2BMAPTNPSR1
SCHEMBL4904033 0.81 ADORA1 (0.77) ADORA1ADORA2AADORA2BMAPTNPSR1
SCHEMBL4909492 0.81 MAPT (0.51) ADORA1ADORA2AADORA2BMAPTRXFP1
SCHEMBL27631464 0.76 IGF1R (0.56) ADORA2AMAPTNPSR1IGF1RBACE1
SCHEMBL6446566 0.76 ADORA1 (0.63) ADORA1ADORA2AADORA2BSQOR
SCHEMBL978442 0.72 IGF1R (0.57) ADORA1ADORA2AMAPTNPSR1IGF1R
SCHEMBL14413783 0.72 ADORA1 (0.65) ADORA1ADORA2AADORA2BMAPTRXFP1
SCHEMBL1877640 0.71 BACE1 (0.49) ADORA1ADORA2AADORA2BNPSR1IGF1R
SCHEMBL18005947 0.71 NAAA (0.47) IGF1RMAOB
SCHEMBL1171578 0.70 GABRG2 (0.66) MAOB

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.