SCHEMBL12305232

SCHEMBL12305232

COCCOc1nc(N)c2ncn(Cc3ccc(F)c(C#N)c3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.46
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
NUDT1 P36639 1/20 0.39

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
SCHEMBL12305226 0.90 TLR7 (0.47) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL822730 0.85 TLR7 (0.53) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL2058782 0.84 YTHDC1 (0.55) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL12305228 0.84 TLR7 (0.45) TLR7
SCHEMBL7206653 0.84 TLR7 (0.51) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL12305231 0.83 TLR7 (0.52) TLR7NUDT1
SCHEMBL16481581 0.80 TLR7 (0.52) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL17154082 0.80 TLR7 (0.52) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL509407 0.79 TLR7 (0.64) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL3957806 0.79 AXL (0.51) 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 17 patents. 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-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
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-20140135492-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. 2014-05-15 US disclosed
US-20140135492-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. 2014-05-15 US disclosed
US-20120244121-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. (US) 2012-09-27 US disclosed
US-20120244121-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. (US) 2012-09-27 US disclosed
US-20110236348-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. (US) 2011-09-29 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20140135492-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 TLR7 1/4885PDE4A 1427/4885PDE4B 1548/4885
US-20090047249-A1 Modulators of toll-like receptor 7 TLR7, TLR6, TLR3 TLR7 1/4885PDE4A 1386/4885PDE4B 1552/4885
US-20110236348-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 TLR7 1/4885PDE4A 1018/4885PDE4B 1212/4885
US-20150239888-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 TLR7 1/4885PDE4A 1427/4885PDE4B 1548/4885
US-20120244121-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 TLR7 1/4885PDE4A 1018/4885PDE4B 1212/4885

“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.