Sugi Predict

Sugi Predict / Compounds / SCHEMBL2745784

SCHEMBL2745784

SCHEMBL2745784

NC(=O)c1csc(C(N)=O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.49
▸ CYP2C19 P33261 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ LMNA P02545 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MC4R P32245 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ MC3R P41968 1/20 0.39
▸ PLA2G4A P47712 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CYP2C9 P11712 2/20 0.34
▸ SCN9A Q15858 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SCD O00767 1/20 0.34
▸ NR1I2 O75469 1/20 0.33

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
SCHEMBL12169124 0.87 HTR2B (0.50) HTR2BCYP2C19ACHELMNAADORA3
SCHEMBL17712058 0.87 PLA2G4A (0.50) HTR2BACHEPLA2G4AALDH1A1
SCHEMBL28878477 0.86 HTR2B (0.42) HTR2BCYP2C19ACHELMNAPLA2G4A
SCHEMBL4683786 0.85 KDM1A (0.46) HTR2BACHEPLA2G4AMEN1MAPT
SCHEMBL15652132 0.85 HTR2B (0.45) HTR2BCYP2C19ACHELMNAADORA3
SCHEMBL14152154 0.85 HTR2B (0.45) HTR2BCYP2C19ACHELMNAADORA3
SCHEMBL4688142 0.81 PLA2G4A (0.45) HTR2BCYP2C19ACHEPLA2G4AMEN1
SCHEMBL9296956 0.81 PLA2G4A (0.39) HTR2BCYP2C19ACHELMNAPLA2G4A
SCHEMBL2990831 0.81 NR1I2 (0.52) HTR2BACHEPLA2G4AMEN1MAPT
SCHEMBL2230821 0.81 CYP2C9 (0.38) HTR2BCYP2C19ACHEPLA2G4ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 — — EP claimed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 — — EP claimed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 — — US claimed
US-20210221804-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2021-07-22 — — US disclosed
CN-112979630-A Trifluoromethanols as Ror gamma t modulators 詹森药业有限公司 2021-06-18 — — CN disclosed
US-10975068-B2 6-aminopyridin-3-yl thiazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 — — US disclosed
CN-107827841-A Trifluoromethyl alcohol as Ror γ t conditioning agents 詹森药业有限公司 2018-03-23 — — CN disclosed
US-20170313691-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2017-11-02 — — US disclosed
CN-107108599-A Trifluoromethanols as Ror gamma t modulators 詹森药业有限公司 2017-08-29 — — CN disclosed
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 — — EP disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 — — US disclosed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 — — EP disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 — — US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 — — US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 — — US disclosed
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 — — EP disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 — — 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 (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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 HTR2B 626/4885CYP2C19 896/4885ACHE 611/4885
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 HTR2B 4382/4885CYP2C19 4721/4885ACHE 4428/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 HTR2B 627/4885CYP2C19 1098/4885ACHE 762/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 HTR2B 4382/4885CYP2C19 4721/4885ACHE 4428/4885
US-10975068-B2 6-aminopyridin-3-yl thiazoles as modulators of RORγT RORC, RORA, RORB HTR2B 3369/4885CYP2C19 1641/4885ACHE 4422/4885
US-20170313691-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT RORC, RORA, RORB HTR2B 3273/4885CYP2C19 1984/4885ACHE 3989/4885
US-20210221804-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT RORC, RORA, RORB HTR2B 3273/4885CYP2C19 1984/4885ACHE 3989/4885

“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.