Sugi Predict

Sugi Predict / Compounds / SCHEMBL2172654

SCHEMBL2172654

SCHEMBL2172654

CC1(C)OB(c2ccc3ccc(=O)[nH]c3c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 9/20 0.44
▸ LIPG Q9Y5X9 9/20 0.44
▸ CA9 Q16790 4/20 0.41
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA3 P07451 2/20 0.41
▸ CA4 P22748 2/20 0.41
▸ CA6 P23280 2/20 0.41
▸ CA5A P35218 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ CA5B Q9Y2D0 2/20 0.41
▸ CA13 Q8N1Q1 1/20 0.41
▸ CA2 P00918 2/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ F11 P03951 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ PRMT5 O14744 1/20 0.36

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
SCHEMBL29490757 1.00 LPL (0.44) LPLLIPGCA9CA12CA1
SCHEMBL2098959 0.89 CA9 (0.50) LPLLIPGCA9CA12CA1
SCHEMBL24595098 0.79 LIPG (0.45) LPLLIPGCA9CA12CA1
SCHEMBL12099854 0.79 LPL (0.45) LPLLIPGCA9CA12CA1
SCHEMBL14214367 0.78 CYP2A6 (0.45) LPLLIPGCA9CA12CA1
SCHEMBL13718 0.78 LPL (0.46) LPLLIPGIRAK4MAPK1
SCHEMBL29513455 0.78 LPL (0.46) LPLLIPGIRAK4MAPK1
SCHEMBL1226551 0.78 LPL (0.42) LPLLIPGCA9CA12CA1
SCHEMBL20611918 0.77 EIF4A3 (0.50) LPLLIPGF11
SCHEMBL3261501 0.77 ALDH1A1 (0.43) LPLLIPGCA9CA12CA1

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-3873467-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2024-08-28 — — EP disclosed
US-11970479-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME LLC (US) 2024-04-30 — — US disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 — — CN disclosed
US-20210395224-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2021-12-23 — — US disclosed
EP-3873467-A2 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2021-09-08 — — EP disclosed
EP-3732167-A2 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BioMarin Pharmaceutical Inc. (US) 2020-11-04 — — EP disclosed
US-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MUTABILIS (FR) 2019-05-28 — — US disclosed
EP-3110803-B1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2018-07-11 — — EP disclosed
US-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2017-01-19 — — US disclosed
EP-3110803-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Mutabilis (FR) 2017-01-04 — — EP disclosed
EP-3089969-A2 INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASES TYPE 1 AND TYPE 2 Elexopharm GmbH (DE) 2016-11-09 — — EP disclosed
WO-2015128333-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LABORATOIRE BIODIM (FR) 2015-09-03 — — WO disclosed
EP-2913330-A1 Condensed derivatives of imidazole useful as pharmaceuticals LABORATOIRE BIODIM (FR) 2015-09-02 — — EP disclosed
WO-2014086701-A1 SUBSTITUTED THIAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 — — WO disclosed
WO-2014086701-A1 SUBSTITUTED THIAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 — — WO disclosed
EP-2348018-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-07-27 — — EP disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 — — US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 — — US disclosed
WO-2010035745-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2010-04-01 — — 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-11970479-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM1 LPL 4103/4885LIPG 4685/4885CA9 3361/4885
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE3A, PDE2A, PDE3B LPL 535/4885LIPG 291/4885CA9 1925/4885
US-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MSR1, IFNAR1, NOD2 LPL 3929/4885LIPG 3409/4885CA9 2052/4885
US-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MSR1, IFNAR1, NOD2 LPL 3929/4885LIPG 3409/4885CA9 2052/4885
US-20210395224-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM3, CHRM1 LPL 4103/4885LIPG 4685/4885CA9 3361/4885

“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.