SCHEMBL18255990

SCHEMBL18255990

Cn1cnc2c1c(=O)n(CCCCC#N)c(=O)n2C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.71
▸ TNF P01375 3/20 0.65
▸ USP2 O75604 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ TSHR P16473 1/20 0.65
▸ NFKB1 P19838 1/20 0.65
▸ ACHE P22303 1/20 0.65
▸ PDE4A P27815 1/20 0.65
▸ PMP22 Q01453 1/20 0.65
▸ PDE4B Q07343 1/20 0.65
▸ PDE4C Q08493 1/20 0.65
▸ PDE4D Q08499 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ RXFP1 Q9HBX9 1/20 0.65
▸ GLA P06280 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ CHIT1 Q13231 1/20 0.59
▸ CHIA Q9BZP6 1/20 0.59
▸ AKR1B1 P15121 1/20 0.57

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
SCHEMBL18256115 0.99 ADORA2B (0.70) ADORA2BTNFUSP2LMNACYP1A2
Bisdionin D SCHEMBL16120988 0.89 ADORA2B (0.79) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL16120981 0.87 ADORA2B (0.77) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL11305914 0.87 ADORA2B (0.71) ADORA2BTNFUSP2LMNACYP1A2
Bisdionin C SCHEMBL10018600 0.86 CHIT1 (0.75) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL6346972 0.85 ADORA2B (0.62) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL680669 0.85 ADORA2B (0.62) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL681470 0.85 ADORA2B (0.62) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL11300380 0.83 ADORA2B (0.71) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL17737315 0.83 ADORA2B (1.00) ADORA2BTNFUSP2LMNACYP1A2

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 103/4885USP2 849/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A ADORA2B 89/4885TNF 103/4885USP2 849/4885

“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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