Oxypurinol

Oxypurinol

SCHEMBL2017937

O=c1[nH]c(=O)c2c[nH]nc2[nH]1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

XDH

The experimentally established mechanism targets of Oxypurinol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH known ✓ P47989 1/20 0.41
▸ GDA Q9Y2T3 2/20 0.41
▸ ACHE P22303 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ BLM P54132 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ CA9 Q16790 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
SCHEMBL31359458 0.75 PARP1 (0.55) KDM4EALDH1A1MAPTCYP1A2HSD17B10
Oxypurinol SCHEMBL8258318 0.67 KDM4E (0.31) KDM4EKMT2A
SCHEMBL30472927 0.66 ADORA2B (0.46) KDM4EALDH1A1MAPTGAABLM
SCHEMBL20272419 0.65 KDM4E (0.39) GDAXDHACHEKDM4EALDH1A1
SCHEMBL29406967 0.64 PARP1 (0.67) KDM4EALDH1A1MAPTBLMTDP1
SCHEMBL1441934 0.64 PARP1 (0.67) KDM4EALDH1A1MAPTBLMTDP1
SCHEMBL30032670 0.64 GDA (0.41) GDAXDHACHEKDM4EALDH1A1
SCHEMBL3726392 0.64 GDA (0.41) GDAXDHACHEKDM4EALDH1A1
SCHEMBL15798530 0.64 KDM4E (0.39) GDAXDHACHEKDM4EALDH1A1
SCHEMBL1218582 0.63 GRIN2D (0.49) XDHKDM4EALDH1A1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240028-B1 Pyrazolopyrimidine-4,6-dione derivatives and their use as pharmaceutical INTRA CELLULAR THERAPIES INC (US) 2016-07-20 — — EP claimed
EP-2023729-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2016-05-04 — — EP claimed
US-20150197524-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-07-16 — — US claimed
US-8846693-B2 Optionally substituted pyrazolo[3,4-d]pyrimidine-4,6-diones INTRA-CELLULAR THERAPIES, INC. (US) 2014-09-30 — — US claimed
EP-2575817-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2013-04-10 — — EP claimed
WO-2011153136-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2011-12-08 — — WO claimed
US-20100273753-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2010-10-28 — — US claimed
US-20100173878-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-07-08 — — US claimed
EP-0975636-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-02-02 — — EP claimed
WO-1998046606-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-22 — — WO claimed
US-11464781-B2 PDE1 inhibitors for ophthalmic disorders INTRA-CELLULAR THERAPIES, INC. (US) 2022-10-11 — — US disclosed
CN-112166110-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2021-01-01 — — CN disclosed
US-10000487-B2 Heterocyclic compounds that inhibit the kinase activity of Mnk useful for treating various cancers EFFECTOR THERAPEUTICS, INC. (US) 2018-06-19 — — US disclosed
US-9487527-B2 Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase I INTRA-CELLULAR THERAPIES, INC. (US) 2016-11-08 — — US disclosed
US-9434730-B2 PDE1 inhibitor compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-09-06 — — US disclosed
EP-0383465-A2 Tricyclic fused pyrimidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-08-22 — — EP disclosed
US-4511557-A CALF'S BLOOD DIAYSATE AS VASODILATION POTENTIATOR GAURI KAILASH KUMAR (DE) 1985-04-16 — — US disclosed
EP-0077372-A1 NEW DERIVATIVES OF PYRAZOLO(3,4-d)PYRIMIDINE, PREPARATION METHOD THEREOF AND REMEDY CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-04-27 — — EP disclosed
WO-1982003626-A1 NEW DERIVATIVES OF PYRAZOLO(3,4-D)PYRIMIDINE,PREPARATION METHOD THEREOF AND REMEDY CONTAINING THEM GAURI KAILASH KUMAR 1982-10-28 — — WO disclosed
EP-0063381-A1 Pyrazolo(3-4-d) pyrimidines, process for their preparation and pharmaceutical compositions containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-10-27 — — EP 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-20100273753-A1 ORGANIC COMPOUNDS OPRD1, PGR, HTR1D XDH 188/4885GDA 1914/4885ACHE 659/4885
US-20100173878-A1 ORGANIC COMPOUNDS PDE3A, PDE7A, PDE3B XDH 96/4885GDA 238/4885ACHE 139/4885
US-20150197524-A1 ORGANIC COMPOUNDS OPRD1, HTR1D, DRD1 XDH 181/4885GDA 1854/4885ACHE 607/4885
US-10000487-B2 Heterocyclic compounds that inhibit the kinase activity of Mnk useful for treating various cancers MAP3K9, MAP3K19, MAP3K20 XDH 3031/4885GDA 4559/4885ACHE 1576/4885
US-11464781-B2 PDE1 inhibitors for ophthalmic disorders PDE12, PDE5A, PDE3A XDH 697/4885GDA 195/4885ACHE 319/4885

“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.

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