SCHEMBL4236128

SCHEMBL4236128

N#Cc1cccc(Cn2cnc3c(N)nc(Cl)nc32)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 8/20 0.71
PDE8A O60658 9/20 0.55
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
NT5E P21589 1/20 0.47
ADORA2A P29274 1/20 0.47
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 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
SCHEMBL822875 0.88 PDE8A (0.56) YTHDC1PDE8APDE4APDE4BPDE4C
SCHEMBL2060472 0.84 PDE4A (0.67) YTHDC1PDE8APDE4APDE4BPDE4C
SCHEMBL7744345 0.83 PDE8A (0.57) YTHDC1PDE8APDE4APDE4BPDE4C
SCHEMBL3919969 0.83 YTHDC1 (0.70) YTHDC1PDE8APDE4APDE4BPDE4C
SCHEMBL27388531 0.83 YTHDC1 (1.00) YTHDC1ADORA2A
SCHEMBL21076881 0.82 TLR7 (0.61) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL4172230 0.81 PDE4A (0.64) YTHDC1PDE8APDE4APDE4BPDE4C
SCHEMBL2058782 0.80 YTHDC1 (0.55) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL12305259 0.80 YTHDC1 (0.55) YTHDC1PDE8APDE4APDE4BPDE4C
SCHEMBL12305212 0.80 YTHDC1 (0.55) YTHDC1

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 19 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
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO 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

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 YTHDC1 4748/4885PDE8A 657/4885PDE4A 1427/4885
US-20090047249-A1 Modulators of toll-like receptor 7 TLR7, TLR6, TLR3 YTHDC1 4763/4885PDE8A 598/4885PDE4A 1386/4885
US-20110236348-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 YTHDC1 4773/4885PDE8A 797/4885PDE4A 1018/4885
US-20150239888-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 YTHDC1 4748/4885PDE8A 657/4885PDE4A 1427/4885
US-20120244121-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 YTHDC1 4773/4885PDE8A 797/4885PDE4A 1018/4885

“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.