SCHEMBL16213698

SCHEMBL16213698

CC(=O)c1ccc(CBr)nc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 1/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HCAR3 P49019 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SLC2A1 P11166 1/20 0.37
▸ P4HA1 P13674 1/20 0.36
▸ P4HTM Q9NXG6 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL30024515 1.00 KCNJ1 (0.44) KCNJ1KMT2AL3MBTL1GAATSHR
SCHEMBL403213 0.84 P4HA1 (0.55) L3MBTL1MAPTHPGDHCAR3P4HA1
SCHEMBL17682295 0.83 MAPT (0.42) KMT2AL3MBTL1GAAMAPTHPGD
SCHEMBL5175746 0.82 NNMT (0.55) L3MBTL1SMN1; SMN2
SCHEMBL480126 0.82 MAPK1 (0.59) KMT2AL3MBTL1TSHRMAPTRAB9A
SCHEMBL14023317 0.82 KCNJ1 (0.45) KCNJ1KMT2AL3MBTL1GAATSHR
SCHEMBL2749675 0.82 KCNJ1 (0.45) KCNJ1KMT2AL3MBTL1GAATSHR
SCHEMBL31098145 0.82 KCNJ1 (0.45) KCNJ1KMT2AL3MBTL1GAATSHR
SCHEMBL17845753 0.80 KCNJ1 (0.44) KCNJ1KMT2AL3MBTL1GAATSHR
SCHEMBL12639886 0.80 KCNJ1 (0.44) KCNJ1KMT2AL3MBTL1GAATSHR

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 15 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
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
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
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 — — US 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 KCNJ1 2980/4885KMT2A 3904/4885L3MBTL1 4846/4885
US-10098885-B2 Hydroxyl purine compounds and applications thereof PNP, PDE2A, PDE7A KCNJ1 2980/4885KMT2A 3904/4885L3MBTL1 4846/4885

“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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