SCHEMBL13728833

SCHEMBL13728833

CCCCOc1nc(N)c2ncn(Cc3cccc(CP(C)(=O)OCC)c3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 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
SCHEMBL13728693 0.92 TLR7 (0.46) TLR7CYP3A4CYP2D6
SCHEMBL3922273 0.89 TLR7 (0.57) TLR7CYP3A4CYP2D6
SCHEMBL3931613 0.88 TLR7 (0.49) TLR7CYP3A4CYP2D6
SCHEMBL13728641 0.85 TMIGD3 (0.53) TLR7
SCHEMBL13728781 0.85 TLR7 (0.52) TLR7
SCHEMBL2060425 0.84 TLR7 (0.54) TLR7CYP3A4CYP2D6
SCHEMBL14305219 0.82 TLR7 (0.47) TLR7CYP3A4CYP2D6
SCHEMBL3923350 0.82 TLR7 (0.47) TLR7
SCHEMBL2060164 0.81 TLR7 (0.48) TLR7CYP3A4CYP2D6
SCHEMBL12305153 0.81 CYP3A4 (0.66) TLR7CYP3A4CYP2D6

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 TLR7 1/4885CYP3A4 4601/4885CYP2D6 3898/4885
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 TLR7 1/4885CYP3A4 4624/4885CYP2D6 3952/4885

“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.