SCHEMBL4100611

SCHEMBL4100611

CCC(C)OP(=O)(O)C(OCC(c1ccccc1)n1cnc2c(N)nc(OCCOC)nc21)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.38
ADORA2A P29274 5/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA1 P30542 2/20 0.37
NUDT1 P36639 1/20 0.36
ADORA2B P29275 4/20 0.33

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
SCHEMBL4102048 0.87 TLR7 (0.41) TLR7ADORA2AADORA3ADORA1NUDT1
SCHEMBL4099745 0.87 TLR7 (0.40) TLR7ADORA2AADORA3ADORA1NUDT1
SCHEMBL4095899 0.78 TLR7 (0.48) TLR7ADORA2AADORA3ADORA1NUDT1
SCHEMBL4102038 0.78 TLR7 (0.42) TLR7ADORA2AADORA3ADORA1NUDT1
SCHEMBL3996500 0.76 HPRT1 (0.45) TLR7ADORA2AADORA2B
SCHEMBL4104451 0.76 CYP3A4 (0.41) TLR7
SCHEMBL14311956 0.75 TLR7 (0.51) TLR7ADORA2AADORA3ADORA1NUDT1
SCHEMBL4100830 0.75 SERPINA3 (0.43) TLR7ADORA2AADORA1NUDT1ADORA2B
SCHEMBL4108240 0.74 TLR7 (0.44) TLR7ADORA2AADORA3ADORA1NUDT1
SCHEMBL3925889 0.74 TLR7 (0.42) TLR7ADORA2AADORA3ADORA1NUDT1

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 4 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-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

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 1/4885ADORA2A 991/4885ADORA3 1929/4885
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 TLR7 1/4885ADORA2A 917/4885ADORA3 1717/4885

“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.