SCHEMBL19987817

SCHEMBL19987817

CNc1cn(CC(F)(F)F)nc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PDE10A Q9Y233 2/20 0.38
IRAK4 Q9NWZ3 4/20 0.35
HIF1A Q16665 5/20 0.35
EPAS1 Q99814 5/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
MAP2K3 P46734 1/20 0.34
MAPK14 Q16539 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7510794 0.77 PDE10A (0.41) KDM4EADORA3PDE10AALDH1A1NPC1
SCHEMBL18256032 0.73 MEN1 (0.44) KDM4EHTTSMN1; SMN2PDE10ACCNA2
SCHEMBL7510800 0.73 PDE10A (0.42) KDM4EHTTSMN1; SMN2ADORA3PDE10A
SCHEMBL12856424 0.73 IRAK4 (0.37) PDE10AIRAK4
SCHEMBL18256161 0.73 IRAK4 (0.48) IRAK4
SCHEMBL7522753 0.71 PDE10A (0.40) ADORA3PDE10ACCNA2CDK2CCNA1
SCHEMBL27912640 0.71 CFTR (0.36) KDM4EHTTSMN1; SMN2ADORA3PDE10A
SCHEMBL30206254 0.70 ALDH1A1 (0.49) HTTPDE10AALDH1A1L3MBTL1HDAC9
SCHEMBL24752082 0.68 MAP3K5 (0.38) KDM4EHTTSMN1; SMN2PDE10AHDAC9
SCHEMBL7509900 0.68 PDE10A (0.41) KDM4ESMN1; SMN2ADORA3PDE10AALDH1A1

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 7 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-10618898-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2020-04-14 US disclosed
CN-107614501-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-01-14 CN disclosed
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 US disclosed
US-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-31 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 KDM4E 3896/4885HTT 2473/4885SMN1; SMN2 1801/4885
US-10618898-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A KDM4E 3896/4885HTT 2473/4885SMN1; SMN2 1801/4885
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A KDM4E 3906/4885HTT 2349/4885SMN1; SMN2 1786/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A KDM4E 3906/4885HTT 2349/4885SMN1; SMN2 1786/4885

“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.