SCHEMBL18819562

SCHEMBL18819562

CCOC(=O)COCCn1c(=O)c2c(ncn2C)n(C)c1=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 5/20 0.75
▸ ADORA2B P29275 8/20 0.67
▸ CYP1A2 P05177 2/20 0.55
▸ PDE4A P27815 2/20 0.55
▸ PMP22 Q01453 2/20 0.55
▸ PDE4B Q07343 2/20 0.55
▸ PDE4C Q08493 2/20 0.55
▸ PDE4D Q08499 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ ACHE P22303 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ BLM P54132 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ CYP3A4 P08684 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL19210112 0.86 ADORA2B (0.70) TNFADORA2BCYP1A2PDE4APMP22
SCHEMBL5424162 0.84 TNF (1.00) TNFADORA2BCYP1A2PDE4APMP22
SCHEMBL17682312 0.83 TNF (1.00) TNFADORA2BCYP1A2PDE4APMP22
SCHEMBL18053264 0.80 ADORA2B (0.64) TNFADORA2BCYP1A2PDE4APMP22
SCHEMBL17682113 0.78 ADORA2B (0.65) TNFADORA2BCYP1A2PDE4APMP22
Bisdionin B SCHEMBL29896692 0.77 ADORA2B (0.74) TNFADORA2BCYP1A2PDE4APMP22
SCHEMBL8644270 0.77 TNF (0.79) TNFADORA2BCYP1A2PDE4APMP22
SCHEMBL6291371 0.76 ADORA2B (0.74) TNFADORA2BCYP1A2PDE4APMP22
SCHEMBL8570022 0.76 ADORA2B (0.77) TNFADORA2BCYP1A2PDE4APMP22
SCHEMBL10018601 0.76 TNF (0.71) TNFADORA2BCYP1A2PDE4APMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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 116/4885CYP1A2 146/4885
US-10098885-B2 Hydroxyl purine compounds and applications thereof PNP, PDE2A, PDE7A TNF 45/4885ADORA2B 116/4885CYP1A2 146/4885

“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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