Sugi Predict

Sugi Predict / Compounds / SCHEMBL358305

SCHEMBL358305

SCHEMBL358305

COc1cc(C(=O)O)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.54
▸ LMNA P02545 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ TSHR P16473 2/20 0.47
▸ TTR P02766 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ TPMT P51580 1/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL1784674 0.94 LMNA (0.53) PKMLMNAALDH1A1MAPTTSHR
SCHEMBL4022730 0.93 LMNA (0.48) PKMLMNAALDH1A1MAPTTSHR
Hydrochloric Acid SCHEMBL11778515 0.92 LMNA (0.52) PKMLMNAALDH1A1MAPTTSHR
SCHEMBL2589956 0.86 LMNA (0.52) LMNAALDH1A1MAPTHTTPOLB
SCHEMBL28454415 0.85 PKM (0.58) PKMLMNAALDH1A1MAPTTSHR
SCHEMBL31229493 0.85 PKM (0.58) PKMLMNAALDH1A1MAPTTSHR
SCHEMBL30180164 0.83 PKM (0.55) PKMLMNAALDH1A1MAPTTSHR
SCHEMBL10341213 0.83 PKM (0.55) PKMLMNAALDH1A1MAPTTSHR
SCHEMBL5095253 0.82 PKM (0.54) PKMALDH1A1MAPTTSHRTTR
SCHEMBL1790306 0.81 TSHR (0.49) ALDH1A1TSHRTTRCYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118525018-A Bialkyne compound and application thereof 上海艾力斯医药科技股份有限公司 2024-08-20 — — CN disclosed
WO-2023116779-A1 DIALKYNE COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-06-29 — — WO disclosed
CN-113166103-B EGFR inhibitor and application thereof 江苏先声药业有限公司 2022-12-16 — — CN disclosed
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-23 — — US disclosed
CN-113166103-A EGFR inhibitor and application thereof 江苏先声药业有限公司 2021-07-23 — — CN disclosed
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-25 — — US disclosed
WO-2020216371-A1 EGFR INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2020-10-29 — — WO disclosed
WO-2020216371-A1 EGFR INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2020-10-29 — — WO disclosed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 — — US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 — — US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 — — US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 — — US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 — — US disclosed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 — — WO disclosed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 — — US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 — — EP disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 — — WO disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 — — WO disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 — — WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 — — 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 (6 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-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB PKM 1165/4885LMNA 1687/4885ALDH1A1 4296/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 PKM 570/4885LMNA 2020/4885ALDH1A1 2519/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 PKM 452/4885LMNA 1996/4885ALDH1A1 422/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG PKM 964/4885LMNA 1906/4885ALDH1A1 4076/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 PKM 570/4885LMNA 2020/4885ALDH1A1 2519/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 PKM 570/4885LMNA 2020/4885ALDH1A1 2519/4885

“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.