SCHEMBL17682255

SCHEMBL17682255

Cn1cnc2c1c(=O)n(Cc1ccc(C(C)(O)C(F)(F)F)cn1)c(=O)n2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.48
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 1/20 0.46
GLA P06280 1/20 0.46
BLM P54132 1/20 0.46
TNF P01375 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
ACHE P22303 1/20 0.45
PDE4A P27815 1/20 0.45
PMP22 Q01453 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL19601318 0.89 ADORA2B (0.52) ADORA2BMAPK1NPSR1KMT2AGLA
SCHEMBL17682264 0.86 MAPK1 (0.54) ADORA2BMAPK1NPSR1KMT2AGLA
SCHEMBL17682183 0.85 TRPA1 (0.42) KMT2A
SCHEMBL17682262 0.84 ADORA2B (0.49) ADORA2BMAPK1NPSR1KMT2AGLA
SCHEMBL18819717 0.84 TRPA1 (0.41) KMT2ARXFP1
SCHEMBL17682225 0.81 MAPK1 (0.64) ADORA2BMAPK1NPSR1KMT2AGLA
SCHEMBL17682171 0.80 ADORA2B (0.48) ADORA2BMAPK1NPSR1KMT2AGLA
SCHEMBL17682192 0.80 MAPK1 (0.52) ADORA2BMAPK1NPSR1KMT2AGLA
SCHEMBL19246120 0.79 MAPK1 (0.51) ADORA2BMAPK1NPSR1GLABLM
SCHEMBL17682294 0.78 ADORA2B (0.60) ADORA2BMAPK1NPSR1KMT2AGLA

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 14 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
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 ADORA2B 116/4885MAPK1 1057/4885NPSR1 1836/4885
US-10098885-B2 Hydroxyl purine compounds and applications thereof PNP, PDE2A, PDE7A ADORA2B 116/4885MAPK1 1057/4885NPSR1 1836/4885

“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.