Sugi Predict

Sugi Predict / Compounds / SCHEMBL971944

SCHEMBL971944

SCHEMBL971944

CCOC(=O)C(Cc1ccncc1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 1/20 0.50
▸ PKM P14618 2/20 0.45
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CDC7 O00311 5/20 0.41
▸ DBF4 Q9UBU7 5/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ NAMPT P43490 3/20 0.41
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL2672559 0.92 MMP8 (0.54) MMP8PKMMAPTALDH1A1TP53
Pyridine 4-Methanol SCHEMBL8937683 0.86 MMP8 (0.49) MMP8PKMALDH1A1TP53CDC7
SCHEMBL5326604 0.83 MMP8 (0.53) MMP8PKMMAPTALDH1A1TP53
SCHEMBL856250 0.83 MMP8 (0.69) MMP8PKMPOLBALDH1A1TP53
SCHEMBL2050344 0.83 MMP8 (0.53) MMP8PKMMAPTALDH1A1TP53
SCHEMBL7696784 0.82 ESR1 (0.51) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL2429056 0.82 MMP8 (0.49) MMP8PKMPOLBALDH1A1GAA
SCHEMBL6640643 0.81 CPB2 (0.46) MMP8MAPTALDH1A1CDC7DBF4
SCHEMBL901733 0.81 EPHX2 (0.50) MMP8MAPTALDH1A1TP53NPY1R
SCHEMBL2426124 0.81 MMP8 (0.54) MMP8PKMMAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163489-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2021-06-03 — — US disclosed
US-20210163489-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2021-06-03 — — US disclosed
US-20200317674-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME An2H Discovery Limited (IE) 2020-10-08 — — US disclosed
US-20200317674-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME An2H Discovery Limited (IE) 2020-10-08 — — US disclosed
WO-2017210678-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME An2H Discovery Limited (IE) 2017-12-07 — — WO disclosed
WO-2013072882-A1 2 -AMINO- 1, 8 -NAPHTHYRIDINE-3 -CARBOXAMIDE DERIVATIVES AS ANTIMICROBIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-23 — — WO disclosed
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 — — WO disclosed
US-7994318-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-08-09 — — US disclosed
US-7923461-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-04-12 — — US disclosed
US-7872142-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-18 — — US disclosed
EP-1568692-A1 (pyridin-4-yl)alkyl-amides as TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 — — EP disclosed
CN-1590375-A TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2005-03-09 — — CN disclosed
CN-1590374-A TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2005-03-09 — — CN disclosed
US-20050014800-A1 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 — — US disclosed
US-20050014705-A1 Coumarin derivatives useful as tnf alpha inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-01-20 — — US disclosed
EP-1457205-A1 ANGIOGENESIS INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 — — EP disclosed
CN-1432000-A TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2003-07-23 — — CN disclosed
EP-1302461-A1 TNF-ALPHA PRODUCTION INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 — — EP disclosed
US-20030032623-A1 Tnf-alpha production inhibitors AYUMI PHARMACEUTICAL CORPORATION (JP) 2003-02-13 — — US disclosed
WO-2002008217-A2 COUMARIN DERIVATIVES USEFUL AS TNFα INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-01-31 — — 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-20200317674-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME PINK1, ADRM1, LRRK2 MMP8 2965/4885PKM 1404/4885MAPT 2001/4885
US-20050014705-A1 Coumarin derivatives useful as tnf alpha inhibitors TNF, NFKBIA, TNFRSF1A MMP8 733/4885PKM 4455/4885MAPT 3071/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 MMP8 1856/4885PKM 4264/4885MAPT 4358/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 MMP8 864/4885PKM 4839/4885MAPT 4862/4885
US-20210163489-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME PINK1, ADRM1, LRRK2 MMP8 2965/4885PKM 1404/4885MAPT 2001/4885

“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.