SCHEMBL4095244

SCHEMBL4095244

C=C(COCP(=O)(OCC)OCC)Cn1cnc2c(N)nc(OCCOC)nc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.38
ABCB11 O95342 1/20 0.38
POLA1 P09884 1/20 0.38
POLG P54098 1/20 0.38
FAP Q12884 1/20 0.38
ENPP1 P22413 1/20 0.36
ADORA2A P29274 6/20 0.36
ADORA2B P29275 5/20 0.36
TLR7 Q9NYK1 3/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
FGFR1 P11362 1/20 0.35

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
SCHEMBL4095261 0.84 FGFR1 (0.37) ADORA2AADORA2BTLR7FGFR1
SCHEMBL4096723 0.83 TLR7 (0.39) ADORA2AADORA2BTLR7ADORA3ADORA1
SCHEMBL13729255 0.82 TLR7 (0.41) ADORA2AADORA2BTLR7ADORA3ADORA1
SCHEMBL4096883 0.80 PNP (0.41) SLC22A6ABCB11POLA1POLGFAP
SCHEMBL6833575 0.80 HSP90AB1 (0.44)
SCHEMBL3996481 0.79 FAP (0.49) FAP
SCHEMBL161753 0.79 TLR7 (0.46) TLR7
SCHEMBL3924378 0.79 PNP (0.44) ADORA2AADORA2BTLR7FGFR1
SCHEMBL4104439 0.75 TLR7 (0.41) FAPADORA2ATLR7ADORA3ADORA1
SCHEMBL4102038 0.74 TLR7 (0.42) ADORA2AADORA2BTLR7ADORA3ADORA1

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 SLC22A6 1725/4885ABCB11 1739/4885POLA1 4183/4885
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 SLC22A6 1647/4885ABCB11 1684/4885POLA1 4120/4885

“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.