SCHEMBL18256067

SCHEMBL18256067

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.76
▸ TNF P01375 4/20 0.76
▸ LMNA P02545 2/20 0.76
▸ CYP1A2 P05177 2/20 0.76
▸ NFKB1 P19838 2/20 0.76
▸ ACHE P22303 2/20 0.76
▸ PDE4A P27815 2/20 0.76
▸ PMP22 Q01453 2/20 0.76
▸ USP2 O75604 1/20 0.76
▸ TSHR P16473 1/20 0.76
▸ PDE4B Q07343 1/20 0.76
▸ PDE4C Q08493 1/20 0.76
▸ PDE4D Q08499 1/20 0.76
▸ SMN1; SMN2 Q16637 1/20 0.76
▸ RXFP1 Q9HBX9 1/20 0.76
▸ BLM P54132 2/20 0.57
▸ ESR1 P03372 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ AKR1B1 P15121 1/20 0.56
▸ CHIT1 Q13231 1/20 0.56

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
SCHEMBL18255987 0.86 ADORA2B (0.81) ADORA2BTNFLMNACYP1A2NFKB1
SCHEMBL5412111 0.86 ADORA2B (0.81) ADORA2BTNFLMNACYP1A2NFKB1
Pentoxifylline SCHEMBL34039 0.86 ADORA2B (1.00) ADORA2BTNFLMNACYP1A2NFKB1
Pentoxifylline SCHEMBL3986204 0.86 ADORA2B (1.00) ADORA2BTNFLMNACYP1A2NFKB1
Bisdionin D SCHEMBL16120988 0.85 ADORA2B (0.79) ADORA2BTNFLMNACYP1A2NFKB1
SCHEMBL8150960 0.85 ADORA2B (0.97) ADORA2BTNFLMNACYP1A2NFKB1
SCHEMBL9123538 0.85 ADORA2B (0.97) ADORA2BTNFLMNACYP1A2NFKB1
Pentoxifylline SCHEMBL8140331 0.85 ADORA2B (0.97) ADORA2BTNFLMNACYP1A2NFKB1
SCHEMBL9123779 0.85 ADORA2B (0.79) ADORA2BTNFLMNACYP1A2NFKB1
SCHEMBL9123561 0.85 ADORA2B (0.97) ADORA2BTNFLMNACYP1A2NFKB1

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
CN-107709323-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-11-20 — — CN disclosed
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 — — US disclosed
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 — — US disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 — — US disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 — — US disclosed
EP-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 — — EP disclosed
EP-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 — — EP disclosed
WO-2016184312-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

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-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A ADORA2B 89/4885TNF 103/4885LMNA 2317/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A ADORA2B 89/4885TNF 103/4885LMNA 2317/4885

“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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