SCHEMBL2058718

SCHEMBL2058718

COCCOc1nc(N)c2nc(Br)n(Cc3cccc(CBr)c3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.59
NUDT1 P36639 1/20 0.49
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47

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
SCHEMBL21076727 0.91 TLR7 (0.69) TLR7NUDT1
SCHEMBL4107236 0.91 TLR7 (0.58) TLR7NUDT1ADORA2AADORA1
SCHEMBL19539419 0.89 TLR7 (0.60) TLR7NUDT1ADORA2AADORA1
SCHEMBL3931857 0.89 TLR7 (0.58) TLR7NUDT1
SCHEMBL4099639 0.89 TLR7 (0.58) TLR7NUDT1
SCHEMBL12305185 0.88 TLR7 (0.59) TLR7
SCHEMBL509587 0.88 TLR7 (0.74) TLR7NUDT1ADORA2AADORA1
SCHEMBL4000551 0.88 TLR7 (0.59) TLR7NUDT1ADORA2AADORA1
SCHEMBL2060118 0.87 TLR7 (0.69) TLR7NUDT1
SCHEMBL21076908 0.86 TLR7 (0.56) TLR7NUDT1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611268-B2 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. (US) 2017-04-04 US disclosed
US-9611268-B2 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. (US) 2017-04-04 US disclosed
US-9611268-B2 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. (US) 2017-04-04 US disclosed
US-20150239888-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. 2015-08-27 US disclosed
US-20150239888-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. 2015-08-27 US disclosed
US-20150239888-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. 2015-08-27 US disclosed
EP-2170888-B1 PURINE DERIVATIVES AND THEIR USE AS MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES INC (US) 2015-04-22 EP disclosed
EP-2170888-B1 PURINE DERIVATIVES AND THEIR USE AS MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES INC (US) 2015-04-22 EP disclosed
US-8993755-B2 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. 2015-03-31 US disclosed
US-8993755-B2 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. 2015-03-31 US disclosed
US-20110236348-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. (US) 2011-09-29 US disclosed
US-7968544-B2 Agonists; Treatment of Hepatitis C virus; purine derivatives GILEAD SCIENCES, INC. (US) 2011-06-28 US disclosed
US-7968544-B2 Agonists; Treatment of Hepatitis C virus; purine derivatives GILEAD SCIENCES, INC. (US) 2011-06-28 US disclosed
US-7968544-B2 Agonists; Treatment of Hepatitis C virus; purine derivatives GILEAD SCIENCES, INC. (US) 2011-06-28 US disclosed
EP-2170888-A1 PURINE DERIVATIVES AND THEIR USE AS MODULATORS OF TOLL-LIKE RECEPTOR 7 Gilead Sciences, Inc. (US) 2010-04-07 EP disclosed
US-20090047249-A1 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. 2009-02-19 US disclosed
US-20090047249-A1 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. 2009-02-19 US disclosed
US-20090047249-A1 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. 2009-02-19 US disclosed
WO-2009005687-A1 PURINE DERIVATIVES AND THEIR USE AS MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2009005687-A1 PURINE DERIVATIVES AND THEIR USE AS MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. (US) 2009-01-08 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 (3 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-20090047249-A1 Modulators of toll-like receptor 7 TLR7, TLR6, TLR3 TLR7 1/4885NUDT1 2979/4885ADORA2A 1011/4885
US-20110236348-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 TLR7 1/4885NUDT1 2653/4885ADORA2A 605/4885
US-20150239888-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 TLR7 1/4885NUDT1 3085/4885ADORA2A 1113/4885

“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.