Sugi Predict

Sugi Predict / Compounds / SCHEMBL2586677

SCHEMBL2586677

SCHEMBL2586677

CC(C)(C)OC(=O)NCc1ccc(C#N)nc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ NAMPT P43490 3/20 0.46
▸ MAPT P10636 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ EGLN1 Q9GZT9 1/20 0.44
▸ AR P10275 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ DYRK1A Q13627 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41

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
Hydrochloric Acid SCHEMBL6969707 0.99 L3MBTL1 (0.51) L3MBTL1NAMPTMAPTTDP1NPSR1
SCHEMBL6476856 0.82 L3MBTL1 (0.46) L3MBTL1NAMPTMAPTTDP1NPSR1
SCHEMBL506742 0.81 L3MBTL1 (0.53) L3MBTL1NAMPTMAPTTDP1NPSR1
SCHEMBL1632519 0.81 L3MBTL1 (0.53) L3MBTL1NAMPTMAPTTDP1NPSR1
SCHEMBL29714563 0.81 L3MBTL1 (0.46) L3MBTL1NAMPTMAPTTDP1NPSR1
SCHEMBL2392439 0.81 L3MBTL1 (0.46) L3MBTL1NAMPTMAPTTDP1NPSR1
SCHEMBL30791531 0.80 NAMPT (0.48) NAMPTMAPTEGLN1ARHDAC1
SCHEMBL12184925 0.80 NAMPT (0.48) NAMPTMAPTEGLN1ARHDAC1
SCHEMBL8193113 0.80 L3MBTL1 (0.53) L3MBTL1NAMPTMAPTTDP1NPSR1
SCHEMBL16935746 0.80 L3MBTL1 (0.52) L3MBTL1NAMPTMAPTTDP1NPSR1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121556-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-04-20 — — US disclosed
US-10144746-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-12-04 — — US disclosed
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-12 — — US disclosed
US-9815853-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-11-14 — — US disclosed
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2016-12-15 — — US disclosed
WO-2016201052-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-12-15 — — WO disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 — — US disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 — — US disclosed
EP-1924561-B1 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2012-11-14 — — EP disclosed
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2011-11-03 — — US disclosed
CN-1291975-C Novel mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2006-12-27 — — CN disclosed
US-7129233-B2 Mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2006-10-31 — — US disclosed
US-20060052314-A1 Pharmaceutical combination ASTRAZENECA AB (SE) 2006-03-09 — — US disclosed
CN-1656066-A combination drug ASTRAZENECA AB (SE) 2005-08-17 — — CN disclosed
EP-1513807-A1 PHARMACEUTICAL COMBINATION AstraZeneca AB (SE) 2005-03-16 — — EP disclosed
CN-1487919-A Novel mandelic acid derivatives and their use as thrombin inhibitors — 2004-04-07 — — CN disclosed
US-20040019033-A1 Mandelic acid derivatives and their use as throbin inhibitors ASTRAZENECA AB (SE) 2004-01-29 — — US disclosed
WO-2003101956-A1 PHARMACEUTICAL COMBINATION ASTRAZENECA AB (SE) 2003-12-11 — — WO disclosed
EP-1347955-A1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROBIN INHIBITORS AstraZeneca AB (SE) 2003-10-01 — — EP disclosed
WO-2002044145-A1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROBIN INHIBITORS ASTRAZENECA AB (SE) 2002-06-06 — — WO 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 (7 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-10144746-B2 Bridged bicyclic kallikrein inhibitors KLKB1, KLK1, KLK2 L3MBTL1 4262/4885NAMPT 852/4885MAPT 2685/4885
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 L3MBTL1 4262/4885NAMPT 852/4885MAPT 2685/4885
US-20040019033-A1 Mandelic acid derivatives and their use as throbin inhibitors ADAMTS1, ADAMTS13, ADAMTS7 L3MBTL1 743/4885NAMPT 2594/4885MAPT 3567/4885
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 L3MBTL1 4262/4885NAMPT 852/4885MAPT 2685/4885
US-20230121556-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE LTB4R, LTC4S, LTA4H L3MBTL1 3788/4885NAMPT 1742/4885MAPT 4515/4885
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR1A, HTR2A L3MBTL1 2883/4885NAMPT 4696/4885MAPT 4626/4885
US-20060052314-A1 Pharmaceutical combination F2, TNNT2, WFS1 L3MBTL1 1548/4885NAMPT 1358/4885MAPT 4303/4885

“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.