SCHEMBL18256608

SCHEMBL18256608

Cn1cnc2c1c(=O)n(CC1CCCO1)c(=O)n2C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.59
▸ ADORA2B P29275 8/20 0.54
▸ GLA P06280 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ TSHR P16473 2/20 0.50
▸ ACHE P22303 2/20 0.50
▸ ADORA3 P0DMS8 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ PIK3CD O00329 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CNR1 P21554 1/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ ADORA1 P30542 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ MC3R P41968 1/20 0.50
▸ NOTUM Q6P988 1/20 0.50
▸ SIRT3 Q9NTG7 1/20 0.50
▸ GDA Q9Y2T3 1/20 0.50
▸ NR2E1 Q9Y466 1/20 0.50
▸ USP2 O75604 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
SCHEMBL20205958 0.87 ADORA2B (0.55) ADORA2BGLABLMTSHRACHE
SCHEMBL2794360 0.86 ADORA2B (0.60) TRPA1ADORA2BGLABLMTSHR
SCHEMBL17682328 0.86 TRPA1 (0.57) TRPA1ADORA2BGLABLMTSHR
SCHEMBL17682315 0.84 ADORA2B (0.53) TRPA1ADORA2BGLABLMTSHR
SCHEMBL18819714 0.82 ADORA2B (0.59) ADORA2BGLABLMTSHRACHE
SCHEMBL19607700 0.82 ADORA2B (0.59) ADORA2BGLABLMTSHRACHE
SCHEMBL9350793 0.82 ADORA2B (0.62) ADORA2BGLABLMTSHRACHE
SCHEMBL18256600 0.81 ADORA2B (0.55) TRPA1ADORA2BGLABLMTSHR
SCHEMBL5935791 0.81 ADORA2B (0.58) ADORA2BGLABLMTSHRACHE
SCHEMBL17682318 0.80 ADORA2B (0.51) TRPA1ADORA2BGLABLMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10618898-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2020-04-14 — — US disclosed
US-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-31 — — US disclosed
US-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-31 — — US 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

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-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A TRPA1 3059/4885ADORA2B 93/4885GLA 1138/4885
US-10618898-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A TRPA1 3059/4885ADORA2B 93/4885GLA 1138/4885

“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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