SCHEMBL13964749

SCHEMBL13964749

O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)O)[C@@H](O)C1F)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.58
▸ ADORA2B P29275 8/20 0.58
▸ HIF1A Q16665 1/20 0.51
▸ AHCY P23526 1/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.49

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
SCHEMBL13964740 1.00 ADORA2A (0.58) ADORA2AADORA2BHIF1AAHCYTMEM97
SCHEMBL19190143 1.00 ADORA2A (0.58) ADORA2AADORA2BHIF1AAHCYTMEM97
SCHEMBL13974841 1.00 ADORA2A (0.58) ADORA2AADORA2BHIF1AAHCYTMEM97
SCHEMBL13964754 0.90 ADORA2A (0.52) ADORA2AADORA2BADORA3
SCHEMBL20558074 0.89 P2RY12 (0.48) ADORA2AADORA2BADORA3
SCHEMBL26435554 0.89 ADORA3 (0.54) ADORA2AADORA2BADORA3
SCHEMBL23621389 0.87 LMNA (0.60) ADORA2AADORA2BADORA3
SCHEMBL21063207 0.87 LMNA (0.60) ADORA2AADORA2BADORA3
SCHEMBL9294393 0.87 LMNA (0.60) ADORA2AADORA2BADORA3
SCHEMBL21625242 0.87 LMNA (0.60) ADORA2AADORA2BADORA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987437-B2 Processes and intermediates for preparing anti-HIV Agents GILEAD SCIENCES, INC. (US) 2015-03-24 — — US disclosed
US-8987437-B2 Processes and intermediates for preparing anti-HIV Agents GILEAD SCIENCES, INC. (US) 2015-03-24 — — US disclosed
US-20120296076-A1 PROCESSES AND INTERMEDIATES FOR PREPARING ANTI-HIV AGENTS GILEAD SCIENCES, INC. 2012-11-22 — — 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 (1 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-20120296076-A1 PROCESSES AND INTERMEDIATES FOR PREPARING ANTI-HIV AGENTS SAMHD1, DHPS, LSS ADORA2A 3746/4885ADORA2B 4029/4885HIF1A 3150/4885

“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.

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