SCHEMBL15317015

SCHEMBL15317015

Cc1nc(C)n2nc([C@@H]3CCCCN3C(=O)OC(C)(C)C)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL21279696 1.00 ALDH1A1 (0.38) ALDH1A1L3MBTL1NPSR1MAPTLMNA
SCHEMBL221557 0.85 TSHR (0.38) ALDH1A1L3MBTL1NPSR1MAPTLMNA
SCHEMBL21279655 0.85 HPGD (0.39) ALDH1A1L3MBTL1NPSR1MAPTLMNA
SCHEMBL2737908 0.85 HPGD (0.39) ALDH1A1L3MBTL1NPSR1MAPTLMNA
SCHEMBL21279513 0.84 ALDH1A1 (0.41) ALDH1A1L3MBTL1NPSR1MAPTLMNA
SCHEMBL2737903 0.84 ALDH1A1 (0.41) ALDH1A1L3MBTL1NPSR1MAPTLMNA
SCHEMBL2737990 0.83 USP30 (0.35) ALDH1A1L3MBTL1NPSR1MAPTLMNA
SCHEMBL21279510 0.82 TSHR (0.37) ALDH1A1L3MBTL1NPSR1MAPTLMNA
SCHEMBL2737977 0.82 PDE8B (0.37) ALDH1A1L3MBTL1NPSR1MAPTLMNA
SCHEMBL2737893 0.82 TSHR (0.37) ALDH1A1L3MBTL1NPSR1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838900-B1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-08-21 — — EP disclosed
US-10174038-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2019-01-08 — — US disclosed
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-11-30 — — US disclosed
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-11-30 — — US disclosed
US-20170029427-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-02-02 — — US disclosed
US-20170029427-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-02-02 — — US disclosed
US-9504689-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-11-29 — — US disclosed
US-9504689-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-11-29 — — US disclosed
US-20150238501-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2015-08-27 — — US disclosed
US-20150238501-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2015-08-27 — — US disclosed
US-8980878-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2015-03-17 — — US disclosed
US-8980878-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2015-03-17 — — US disclosed
US-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2013-10-17 — — US disclosed
US-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2013-10-17 — — 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 (5 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-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS ALDH1A1 3727/4885L3MBTL1 2384/4885NPSR1 4434/4885
US-20150238501-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS ALDH1A1 3727/4885L3MBTL1 2384/4885NPSR1 4434/4885
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS ALDH1A1 3727/4885L3MBTL1 2384/4885NPSR1 4434/4885
US-20170029427-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS ALDH1A1 3727/4885L3MBTL1 2384/4885NPSR1 4434/4885
US-10174038-B2 Compounds and methods for antiviral treatment ZC3HAV1, SARS1, MAVS ALDH1A1 3727/4885L3MBTL1 2384/4885NPSR1 4434/4885

“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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