SCHEMBL4099745

SCHEMBL4099745

CCC(C)OP(=O)(O)C(OCC(c1ccccc1)n1c(Br)nc2c(N)nc(OCCOC)nc21)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.40
NUDT1 P36639 1/20 0.36
APLNR P35414 2/20 0.33
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL3925889 0.88 TLR7 (0.42) TLR7NUDT1APLNRADORA3ADORA2A
SCHEMBL4100611 0.87 TLR7 (0.38) TLR7NUDT1ADORA3ADORA2AADORA1
SCHEMBL4108240 0.81 TLR7 (0.44) TLR7NUDT1ADORA3ADORA2AADORA1
SCHEMBL3925877 0.78 TLR7 (0.43) TLR7NUDT1APLNR
SCHEMBL4096432 0.77 TLR7 (0.45) TLR7NUDT1
SCHEMBL4100896 0.76 TLR7 (0.46) TLR7NUDT1ADORA2AADORA1ADORA2B
SCHEMBL4100837 0.75 TLR7 (0.39) TLR7NUDT1ADORA2AADORA1ADORA2B
SCHEMBL4090126 0.74 TLR7 (0.44) TLR7NUDT1
SCHEMBL7209851 0.74 TLR7 (0.51) TLR7NUDT1
SCHEMBL4102048 0.74 TLR7 (0.41) TLR7NUDT1ADORA3ADORA2AADORA1

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 1/4885NUDT1 3020/4885APLNR 165/4885
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 TLR7 1/4885NUDT1 2864/4885APLNR 158/4885

“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.