SCHEMBL17682242

SCHEMBL17682242

Cn1cnc2c1c(=O)n(CCCl)c(=O)n2C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 10/20 0.67
▸ BLM P54132 2/20 0.65
▸ GLA P06280 1/20 0.65
▸ ACHE P22303 2/20 0.63
▸ ADORA2A P29274 2/20 0.63
▸ PIK3CD O00329 1/20 0.63
▸ POLB P06746 1/20 0.63
▸ ADORA3 P0DMS8 1/20 0.63
▸ CNR1 P21554 1/20 0.63
▸ ADORA1 P30542 1/20 0.63
▸ NTSR1 P30989 1/20 0.63
▸ MC3R P41968 1/20 0.63
▸ NOTUM Q6P988 1/20 0.63
▸ SIRT3 Q9NTG7 1/20 0.63
▸ GDA Q9Y2T3 1/20 0.63
▸ NR2E1 Q9Y466 1/20 0.63
▸ CYP1A2 P05177 2/20 0.63
▸ PDE4A P27815 2/20 0.63
▸ PMP22 Q01453 2/20 0.63
▸ PDE4B Q07343 2/20 0.63

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
SCHEMBL3523033 0.92 ADORA2B (0.69) ADORA2BBLMGLAACHEADORA2A
SCHEMBL11300380 0.91 ADORA2B (0.71) ADORA2BBLMGLAACHEADORA2A
Bisdionin B SCHEMBL29896692 0.90 ADORA2B (0.74) ADORA2BBLMGLAACHEADORA2A
SCHEMBL8852328 0.90 ADORA2B (0.70) ADORA2BBLMGLAACHEADORA2A
SCHEMBL5463429 0.89 ADORA2B (0.68) ADORA2BBLMGLAACHEADORA2A
Bisdionin C SCHEMBL10018600 0.87 CHIT1 (0.75) ADORA2BBLMGLAACHEADORA2A
Bisdionin D SCHEMBL16120988 0.87 ADORA2B (0.79) ADORA2BBLMGLAACHEADORA2A
SCHEMBL315740 0.86 ADORA2B (0.82) ADORA2BBLMGLAACHEADORA2A
SCHEMBL7384278 0.86 ADORA2B (0.68) ADORA2BBLMGLAACHEADORA2A
SCHEMBL16120981 0.86 ADORA2B (0.77) ADORA2BBLMGLAACHEADORA2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066413-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION METRO INTERNATIONAL BIOTECH, LLC 2025-02-27 — — US disclosed
EP-4452279-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION Metro International Biotech, LLC (US) 2024-10-30 — — EP disclosed
CN-118541157-A Composition for treating inflammation 麦德龙国际生物科技有限责任公司 2024-08-23 — — CN disclosed
US-11878994-B1 Compositions for treatment of inflammation METRO INTERNATIONAL BIOTECH, LLC (US) 2024-01-23 — — US disclosed
WO-2023122190-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION METRO INTERNATIONAL BIOTECH, LLC (US) 2023-06-29 — — WO disclosed
WO-2023122190-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION METRO INTERNATIONAL BIOTECH, LLC (US) 2023-06-29 — — WO disclosed
US-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-31 — — US disclosed
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 — — US disclosed
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 — — US disclosed
EP-3205652-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2017-08-16 — — EP disclosed
WO-2017071606-A1 MEDICAL USE OF HYDROXYL PURINE COMPOUND 南京明德新药研发股份有限公司 2017-05-04 — — WO disclosed
WO-2016184313-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF 南京明德新药研发股份有限公司 2016-11-24 — — WO disclosed
WO-2016054971-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF 南京明德新药研发股份有限公司 2016-04-14 — — 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 (4 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-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A ADORA2B 93/4885BLM 1100/4885GLA 1138/4885
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A ADORA2B 116/4885BLM 1349/4885GLA 1003/4885
US-20250066413-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION NQO1, NAMPT, MPO ADORA2B 1104/4885BLM 3719/4885GLA 274/4885
US-11878994-B1 Compositions for treatment of inflammation NQO1, NAMPT, MPO ADORA2B 1104/4885BLM 3719/4885GLA 274/4885

“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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