SCHEMBL18255993

SCHEMBL18255993

COC(=O)Cc1c(C)noc1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.49
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.45
CRHBP P24387 1/20 0.45
HTT P42858 1/20 0.45
CRHR2 Q13324 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2824162 0.84 ALDH1A1 (0.54) P2RX7ALDH1A1ALOX15CRHBPHTT
SCHEMBL4182412 0.82 TDP1 (0.47) P2RX7ALDH1A1L3MBTL1GAAMEN1
SCHEMBL29579998 0.80 KDM4E (0.39) P2RX7ALDH1A1ALOX15CRHBPHTT
SCHEMBL10242696 0.79 P2RX7 (0.49) P2RX7ALDH1A1GAAMEN1KMT2A
SCHEMBL2972393 0.79 P2RX7 (0.53) P2RX7ALDH1A1MEN1KMT2A
SCHEMBL2172793 0.79 P2RX7 (0.49) P2RX7ALDH1A1L3MBTL1GAAMEN1
SCHEMBL352491 0.78 P2RX7 (0.56) P2RX7
SCHEMBL15012218 0.77 LMNA (0.65) ALDH1A1ALOX15CRHBPHTTCRHR2
Hydrochloric Acid SCHEMBL1372267 0.77 P2RX7 (0.48) P2RX7ALDH1A1L3MBTL1GAAMEN1
SCHEMBL14759859 0.77 P2RX7 (0.48) P2RX7ALDH1A1L3MBTL1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651811-B Isoxazole-containing pyridopyrimidone compound and preparation method and application thereof 贵州大学 2022-06-07 CN disclosed
CN-113651811-A Isoxazole-containing pyridopyrimidone compound and preparation method and application thereof 贵州大学 2021-11-16 CN disclosed
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 P2RX7 64/4885ALDH1A1 379/4885ALOX15 1143/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A P2RX7 64/4885ALDH1A1 379/4885ALOX15 1143/4885

“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.