SCHEMBL13728532

SCHEMBL13728532

COCCOc1nc(N)c2ncn(Cc3cccc(C(=O)O)c3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 4/20 0.56
ADORA2A P29274 2/20 0.53
ADORA1 P30542 2/20 0.53
TLR7 Q9NYK1 11/20 0.49
NUDT1 P36639 1/20 0.47
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 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
SCHEMBL3933232 0.91 YTHDC1 (0.61) YTHDC1ADORA2AADORA1TLR7NUDT1
SCHEMBL3955323 0.90 YTHDC1 (0.56) YTHDC1ADORA2AADORA1TLR7
SCHEMBL19633727 0.88 YTHDC1 (0.54) YTHDC1TLR7NUDT1PDE4APDE4B
SCHEMBL2060130 0.86 TLR7 (0.66) YTHDC1ADORA2AADORA1TLR7NUDT1
SCHEMBL509407 0.86 TLR7 (0.64) YTHDC1ADORA2ATLR7NUDT1PDE4A
SCHEMBL2058751 0.84 TLR7 (0.50) YTHDC1ADORA2ATLR7NUDT1PDE4A
SCHEMBL3922033 0.84 YTHDC1 (0.53) YTHDC1ADORA2AADORA1TLR7NUDT1
SCHEMBL2060041 0.83 TLR7 (0.67) YTHDC1ADORA2AADORA1TLR7
SCHEMBL2058782 0.82 YTHDC1 (0.55) YTHDC1TLR7NUDT1PDE4APDE4B
SCHEMBL12305136 0.82 TLR7 (0.53) TLR7PDE4APDE4BPDE4CPDE4D

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 7 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

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 YTHDC1 4761/4885ADORA2A 991/4885ADORA1 1903/4885
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 YTHDC1 4758/4885ADORA2A 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.