Sugi Predict

Sugi Predict / Compounds / SCHEMBL253780

SCHEMBL253780

SCHEMBL253780

CCOC(=O)c1cc2cccnc2[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPT P10636 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ DAO P14920 1/20 0.54
▸ POLB P06746 3/20 0.48
▸ GAA P10253 2/20 0.47
▸ NUDT1 P36639 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ APAF1 O14727 1/20 0.45
▸ CDC25B P30305 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL30549017 0.86 DAO (0.59) ALDH1A1DAOGAAKDM4EHTT
SCHEMBL28569929 0.84 EGLN1 (0.55) ALDH1A1L3MBTL1LMNADAOPOLB
SCHEMBL832252 0.82 KDM4E (0.58) ALDH1A1MAPTL3MBTL1LMNADAO
SCHEMBL589427 0.81 ALDH1A1 (0.56) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL10322742 0.79 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL373592 0.79 DAO (0.64) ALDH1A1MAPTL3MBTL1LMNADAO
SCHEMBL30187100 0.78 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL591398 0.78 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL1253769 0.78 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL17913499 0.78 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115835909-B Cannabinoid receptor type 2 (CB 2) modulators and uses thereof 泰昂治疗公司 2026-05-15 — — CN disclosed
US-12479822-B2 AHR agonists ELI LILLY AND COMPANY (US) 2025-11-25 — — US disclosed
EP-4402128-A1 AHR AGONISTS Eli Lilly and Company (US) 2024-07-24 — — EP disclosed
CN-118215655-A AHR agonists 伊莱利利公司 2024-06-18 — — CN disclosed
CN-110869363-B 5-membered and bicyclic heterocyclic amides as ROCK inhibitors 百时美施贵宝公司 2024-01-05 — — CN disclosed
US-11673886-B2 5-membered and bicyclic heterocyclic amides as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-13 — — US disclosed
US-11673886-B2 5-membered and bicyclic heterocyclic amides as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-13 — — US disclosed
US-20230159493-A1 AHR AGONISTS ELI LILLY AND COMPANY 2023-05-25 — — US disclosed
CN-115835909-A Cannabinoid receptor type 2 (CB 2) modulators and uses thereof 泰昂治疗公司 2023-03-21 — — CN disclosed
WO-2023039275-A1 AHR AGONISTS ELI LILLY AND COMPANY (US) 2023-03-16 — — WO disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 — — US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 — — EP disclosed
EP-2394995-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES Kumiai Chemical Industry CO., LTD. (JP) 2011-12-14 — — EP disclosed
US-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-11-24 — — US disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 — — WO disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 — — WO disclosed
EP-1226119-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2003-04-09 — — EP disclosed
US-6479512-B1 TO TREAT TYROSINE KINASE-DEPENDENT DISEASES AND CONDITIONS, SUCH AS ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES, ETC. MERCK & CO., INC. 2002-11-12 — — US disclosed
EP-1226119-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2002-07-31 — — EP disclosed
WO-2001028993-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2001-04-26 — — 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 (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-11673886-B2 5-membered and bicyclic heterocyclic amides as inhibitors of ROCK MYLK, ROCK1, ROCK2 ALDH1A1 3016/4885MAPT 326/4885L3MBTL1 4460/4885
US-20230159493-A1 AHR AGONISTS AHR, ARNT, RORC ALDH1A1 724/4885MAPT 3658/4885L3MBTL1 3129/4885
US-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES CBR3, CBR1, CHRM1 ALDH1A1 623/4885MAPT 4708/4885L3MBTL1 944/4885
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 ALDH1A1 468/4885MAPT 4262/4885L3MBTL1 3730/4885
US-12479822-B2 AHR agonists AHR, ARNT, RORC ALDH1A1 724/4885MAPT 3658/4885L3MBTL1 3129/4885

“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.