SCHEMBL4100497

SCHEMBL4100497

CCC(C)OP(=O)(O)COC1CCCC1n1cnc2c(N)nc(OCCOC)nc21

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.40
ADORA2B P29275 10/20 0.40
HPRT1 P00492 1/20 0.37
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL4108259 0.85 TLR7 (0.34)
SCHEMBL13728191 0.83 ADORA2A (0.41) ADORA2AADORA2BADORA3
SCHEMBL4100482 0.83 ADORA2A (0.41) ADORA2AADORA2BADORA3
SCHEMBL4979940 0.78 ADORA2A (0.38) ADORA2AADORA2BADORA3
SCHEMBL4096891 0.76 HPRT1 (0.41) ADORA2AADORA2BHPRT1
SCHEMBL13728892 0.76 ADORA2A (0.48) ADORA2AADORA2BADORA3
SCHEMBL3922916 0.76 ADORA2A (0.48) ADORA2AADORA2BADORA3
SCHEMBL3924384 0.74 PNP (0.41) HPRT1
SCHEMBL4095261 0.74 FGFR1 (0.37) ADORA2AADORA2B
SCHEMBL4104451 0.74 CYP3A4 (0.41)

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 ADORA2A 991/4885ADORA2B 1402/4885HPRT1 4194/4885
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 ADORA2A 917/4885ADORA2B 1263/4885HPRT1 4030/4885

“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.