SCHEMBL13728641

SCHEMBL13728641

CCCCNc1nc(N)c2ncn(Cc3cccc(CP(C)(=O)OCC)c3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 4/20 0.53
ADORA2A P29274 4/20 0.53
ADORA1 P30542 4/20 0.53
ADORA2B P29275 2/20 0.50
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
TLR7 Q9NYK1 6/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
PNP P00491 1/20 0.40

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
SCHEMBL13729158 0.89 TMIGD3 (0.52) TMIGD3ADORA2AADORA1ADORA2BHDAC1
SCHEMBL3928223 0.89 TMIGD3 (0.55) TMIGD3ADORA2AADORA1ADORA2BHDAC1
SCHEMBL13728838 0.88 TMIGD3 (0.53) TMIGD3ADORA2AADORA1ADORA2BHDAC1
SCHEMBL13728833 0.85 TLR7 (0.47) TLR7
SCHEMBL15242296 0.85 TLR7 (0.48) TMIGD3ADORA2AADORA1ADORA2BTLR7
SCHEMBL13728738 0.85 TMIGD3 (0.53) TMIGD3ADORA2AADORA1ADORA2BTLR7
SCHEMBL2060075 0.82 TMIGD3 (0.55) TMIGD3ADORA2AADORA1ADORA2BHDAC1
SCHEMBL14312039 0.82 TMIGD3 (0.59) TMIGD3ADORA2AADORA1ADORA2BHDAC1
SCHEMBL3931297 0.82 TMIGD3 (0.60) TMIGD3ADORA2AADORA1ADORA2BHDAC1
SCHEMBL7206011 0.81 ADORA2A (0.73) TMIGD3ADORA2AADORA1ADORA2BHDAC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038290-B1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES INC (US) 2013-09-04 EP disclosed
US-8338593-B2 Agonists; Treatment of Hepatitis C virus; phosphinate-substituted purine derivatives GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-8338593-B2 Agonists; Treatment of Hepatitis C virus; phosphinate-substituted purine derivatives GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. (US) 2009-08-13 US disclosed
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. (US) 2009-08-13 US disclosed
US-20080008682-A1 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. 2008-01-10 US disclosed
US-20080008682-A1 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. 2008-01-10 US disclosed
WO-2008005555-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. (US) 2008-01-10 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 (2 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-20080008682-A1 Modulators of toll-like receptor 7 TLR7, TLR6, TLR3 TMIGD3 986/4885ADORA2A 991/4885ADORA1 1903/4885
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 TMIGD3 1006/4885ADORA2A 917/4885ADORA1 1756/4885

“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.