Sugi Predict

Sugi Predict / Compounds / SCHEMBL978537

SCHEMBL978537

SCHEMBL978537

CCOC(=O)c1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.59
▸ GRAMD1A Q96CP6 1/20 0.48
▸ GCK P35557 9/20 0.41
▸ MAPT P10636 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39

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
SCHEMBL3441465 0.91 MAPT (0.46) ADORA1MAPTKDM4ENPC1RAB9A
SCHEMBL26092447 0.90 ADORA1 (0.51) ADORA1GRAMD1AKDM4EGAANPSR1
SCHEMBL3441645 0.87 GRAMD1A (0.52) ADORA1GRAMD1AGCKMAPTKDM4E
SCHEMBL741444 0.84 ADORA1 (0.55) ADORA1GRAMD1AGCKMAPTKDM4E
SCHEMBL977983 0.84 GRM5 (0.48) ADORA1MAPTKDM4ENPC1RAB9A
SCHEMBL210375 0.83 ADORA1 (0.54) ADORA1GRAMD1AGCKMAPTKDM4E
SCHEMBL31143542 0.83 ADORA1 (0.51) ADORA1GRAMD1AGCKMAPTKDM4E
Lithium Ion SCHEMBL210376 0.82 GRAMD1A (0.50) ADORA1GRAMD1AGCKMAPTKDM4E
SCHEMBL12761195 0.82 GRAMD1A (0.53) ADORA1GRAMD1AGCKMAPTKDM4E
SCHEMBL8858610 0.81 NPC1 (0.53) ADORA1GRAMD1AGCKMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12139498-B1 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2024-11-12 — — US disclosed
US-20240368188-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2024-11-07 — — US disclosed
US-11873309-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2024-01-16 — — US disclosed
US-11787793-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2023-10-17 — — US disclosed
EP-4137489-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS Incyte Corporation (US) 2023-02-22 — — EP disclosed
CN-109890819-B Heterocyclic compounds as immunomodulators 因赛特公司 2022-11-22 — — CN disclosed
US-11465981-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2022-10-11 — — US disclosed
EP-3558985-B1 BENZOOXAZOLE DERIVATIVES AS IMMUNOMODULATORS INCYTE CORP (US) 2022-09-07 — — EP disclosed
EP-3472167-B1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORP (US) 2022-08-03 — — EP disclosed
US-20220194931-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2022-06-23 — — US disclosed
EP-2906552-A1 GUANIDINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2015-08-19 — — EP disclosed
WO-2014059202-A1 GUANIDINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-17 — — WO disclosed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 — — US disclosed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 — — US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 — — EP disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 — — US disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 — — US disclosed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 — — EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 — — WO disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 — — 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-20220194931-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS ADORA1 1316/4885GRAMD1A 4670/4885GCK 2950/4885
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 ADORA1 4630/4885GRAMD1A 2894/4885GCK 2242/4885
US-11465981-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS ADORA1 1316/4885GRAMD1A 4670/4885GCK 2950/4885
US-11873309-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS ADORA1 1316/4885GRAMD1A 4670/4885GCK 2950/4885
US-11787793-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS ADORA1 1316/4885GRAMD1A 4670/4885GCK 2950/4885
US-20240368188-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM1 ADORA1 140/4885GRAMD1A 3370/4885GCK 3211/4885
US-12139498-B1 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM1 ADORA1 143/4885GRAMD1A 3434/4885GCK 2983/4885

“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.