SCHEMBL4096891

SCHEMBL4096891

CCC(C)OP(=O)(O)CCn1cnc2c(N)nc(OCCOC)nc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.41
TLR7 Q9NYK1 3/20 0.39
CYP3A4 P08684 7/20 0.38
CYP2D6 P10635 6/20 0.38
PNP P00491 1/20 0.38
FGFR1 P11362 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38

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
SCHEMBL3924384 0.94 PNP (0.41) HPRT1TLR7CYP3A4CYP2D6PNP
SCHEMBL3996500 0.86 HPRT1 (0.45) HPRT1TLR7CYP3A4CYP2D6FGFR1
SCHEMBL4095261 0.82 FGFR1 (0.37) TLR7CYP3A4CYP2D6FGFR1ADORA2A
SCHEMBL3930482 0.82 TLR7 (0.42) HPRT1TLR7ADORA2AADORA2B
SCHEMBL4104451 0.80 CYP3A4 (0.41) TLR7CYP3A4CYP2D6
SCHEMBL4096883 0.80 PNP (0.41) HPRT1TLR7PNPFGFR1SLC22A6
SCHEMBL4100830 0.80 SERPINA3 (0.43) HPRT1TLR7ADORA2AADORA2B
SCHEMBL4103648 0.79 CYP3A4 (0.41) HPRT1TLR7CYP3A4CYP2D6
SCHEMBL4102688 0.79 TLR7 (0.41) TLR7ADORA2AADORA2B
SCHEMBL4007149 0.77 FGFR1 (0.46) HPRT1TLR7CYP3A4FGFR1SLC22A6

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 HPRT1 4194/4885TLR7 1/4885CYP3A4 4601/4885
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 HPRT1 4030/4885TLR7 1/4885CYP3A4 4624/4885

“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.