SCHEMBL13964672

SCHEMBL13964672

Cc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)O)[C@@H](C)[C@@H]1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 9/20 0.51
▸ ADORA2A P29274 8/20 0.51
▸ AHCY P23526 5/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ HSP90B1 P14625 3/20 0.43
▸ ADORA3 P0DMS8 4/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43

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
SCHEMBL16923467 0.88 AHCY (0.60) ADORA2BADORA2AAHCYHIF1ATMEM97
SCHEMBL13964659 0.88 AHCY (0.60) ADORA2BADORA2AAHCYHIF1ATMEM97
SCHEMBL12300947 0.87 AHCY (0.68) ADORA2BADORA2AAHCYHIF1ATMEM97
SCHEMBL26554199 0.87 AHCY (0.68) ADORA2BADORA2AAHCYHIF1ATMEM97
SCHEMBL13382546 0.82 AHCY (0.74) ADORA2BADORA2AAHCYHIF1ATMEM97
SCHEMBL18253324 0.80 SMN1; SMN2 (0.52) ADORA2BADORA2AADORA3ADORA1KMT2A
SCHEMBL13964754 0.80 ADORA2A (0.52) ADORA2BADORA2AADORA3
SCHEMBL12151645 0.79 SMN1; SMN2 (0.42) ADORA2BADORA2AADORA3ADORA1KMT2A
SCHEMBL13530847 0.79 SMN1; SMN2 (0.42) ADORA2BADORA2AADORA3ADORA1KMT2A
SCHEMBL13400312 0.77 PI4KA (0.53) ADORA2BADORA2AAHCYHIF1ATMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079773-A1 PROCESSES AND INTERMEDIATES FOR PREPARING ANTI-HIV AGENTS GILEAD SCIENCES, INC. 2018-03-22 — — US disclosed
US-9783567-B2 Processes and intermediates for preparing anti-HIV agents GILEAD SCIENCES, INC. (US) 2017-10-10 — — US disclosed
US-20160340379-A1 PROCESSES AND INTERMEDIATES FOR PREPARING ANTI-HIV AGENTS GILEAD SCIENCES, INC. 2016-11-24 — — US disclosed
US-9296779-B2 Processes and intermediates for preparing anti-HIV agents GILEAD SCIENCES, INC. (US) 2016-03-29 — — US disclosed
US-20150203525-A1 PROCESSES AND INTERMEDIATES FOR PREPARING ANTI-HIV AGENTS GILEAD SCIENCES, INC. 2015-07-23 — — 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 (4 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 ADORA2B 4029/4885ADORA2A 3746/4885AHCY 2754/4885
US-20150203525-A1 PROCESSES AND INTERMEDIATES FOR PREPARING ANTI-HIV AGENTS SAMHD1, DHPS, LSS ADORA2B 4029/4885ADORA2A 3746/4885AHCY 2754/4885
US-20160340379-A1 PROCESSES AND INTERMEDIATES FOR PREPARING ANTI-HIV AGENTS SAMHD1, DHPS, LSS ADORA2B 4029/4885ADORA2A 3746/4885AHCY 2754/4885
US-20180079773-A1 PROCESSES AND INTERMEDIATES FOR PREPARING ANTI-HIV AGENTS SAMHD1, DHPS, LSS ADORA2B 4029/4885ADORA2A 3746/4885AHCY 2754/4885

“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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