Sugi Predict

Sugi Predict / Compounds / SCHEMBL4096723

SCHEMBL4096723

SCHEMBL4096723

C=C(COCP(=O)(OCC)OCC)Cn1c(Br)nc2c(N)nc(OCCOC)nc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 16/20 0.39
▸ NUDT1 P36639 1/20 0.33
▸ ADORA2A P29274 2/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL4096732 0.85 TLR7 (0.38) TLR7NUDT1ADORA2AADORA2BADORA1
SCHEMBL3930476 0.83 TLR7 (0.44) TLR7NUDT1ADORA2AADORA2BADORA1
SCHEMBL4095244 0.83 SLC22A6 (0.38) TLR7ADORA2AADORA2BADORA1ADORA3
SCHEMBL13729574 0.82 TLR7 (0.45) TLR7NUDT1ADORA2AADORA2BADORA1
SCHEMBL4102681 0.81 TLR7 (0.43) TLR7NUDT1ADORA2AADORA2BADORA1
SCHEMBL4100828 0.80 TLR7 (0.40) TLR7NUDT1ADORA2AADORA2BADORA1
SCHEMBL4102158 0.79 TLR7 (0.41) TLR7NUDT1
SCHEMBL15242272 0.79 TLR7 (0.44) TLR7NUDT1
SCHEMBL159207 0.76 TLR7 (0.53) TLR7NUDT1
SCHEMBL4001923 0.76 TLR7 (0.41) TLR7NUDT1ADORA2AADORA2BADORA1

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 10 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-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-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
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 TLR7 1/4885NUDT1 3020/4885ADORA2A 991/4885
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 TLR7 1/4885NUDT1 2864/4885ADORA2A 917/4885

“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.