SCHEMBL17682312

SCHEMBL17682312

CCOC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 8/20 1.00
▸ ADORA2B P29275 5/20 0.72
▸ LMNA P02545 2/20 0.72
▸ CYP1A2 P05177 2/20 0.72
▸ NFKB1 P19838 2/20 0.72
▸ ACHE P22303 2/20 0.72
▸ PDE4A P27815 2/20 0.72
▸ PMP22 Q01453 2/20 0.72
▸ USP2 O75604 1/20 0.72
▸ TSHR P16473 1/20 0.72
▸ PDE4B Q07343 1/20 0.72
▸ PDE4C Q08493 1/20 0.72
▸ PDE4D Q08499 1/20 0.72
▸ SMN1; SMN2 Q16637 1/20 0.72
▸ RXFP1 Q9HBX9 1/20 0.72
▸ ESR1 P03372 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ AKR1B1 P15121 1/20 0.54

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
SCHEMBL5424162 0.96 TNF (1.00) TNFADORA2BLMNACYP1A2NFKB1
SCHEMBL17682325 0.89 TNF (0.80) TNFADORA2BLMNACYP1A2NFKB1
SCHEMBL8644270 0.88 TNF (0.79) TNFADORA2BLMNACYP1A2NFKB1
SCHEMBL17682215 0.87 TNF (0.77) TNFADORA2BLMNACYP1A2NFKB1
SCHEMBL6384593 0.86 TNF (1.00) TNFADORA2BLMNACYP1A2NFKB1
Pentoxifylline SCHEMBL27256824 0.85 TNF (0.86) TNFADORA2BLMNACYP1A2NFKB1
SCHEMBL16730548 0.84 ADORA2B (0.77) TNFADORA2BLMNACYP1A2NFKB1
Pentoxifylline SCHEMBL3986204 0.84 ADORA2B (1.00) TNFADORA2BLMNACYP1A2NFKB1
SCHEMBL5412111 0.84 ADORA2B (0.81) TNFADORA2BLMNACYP1A2NFKB1
SCHEMBL18255987 0.84 ADORA2B (0.81) TNFADORA2BLMNACYP1A2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233863-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2022-10-25 — — CN disclosed
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 — — US disclosed
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 — — US disclosed
EP-3205652-B1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG RAYNOVENT BIOTECH CO LTD (CN) 2022-03-09 — — EP disclosed
CN-108348525-B Medical application of hydroxyl purine compound 广东众生睿创生物科技有限公司 2021-09-10 — — CN disclosed
CN-111233863-A Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-06-05 — — CN disclosed
CN-105566324-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-04-03 — — CN disclosed
US-10098885-B2 Hydroxyl purine compounds and applications thereof GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-10-16 — — 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
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
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-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 (2 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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A TNF 45/4885ADORA2B 116/4885LMNA 2616/4885
US-10098885-B2 Hydroxyl purine compounds and applications thereof PNP, PDE2A, PDE7A TNF 45/4885ADORA2B 116/4885LMNA 2616/4885

“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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