SCHEMBL16674913

SCHEMBL16674913

Cc1c(O)cccc1O[C@@H]1CCOC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
PDE4D Q08499 14/20 0.41
PDE4A P27815 6/20 0.41
PDE4B Q07343 6/20 0.41
PDE4C Q08493 6/20 0.41
QPCT Q16769 1/20 0.39
QPCTL Q9NXS2 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LRRK2 Q5S007 2/20 0.38

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
SCHEMBL16675010 1.00 KAT2B (0.43) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL18010921 1.00 KAT2B (0.43) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL29186583 0.84 KAT2B (0.47) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL13696465 0.82 PDE4D (0.40) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL619603 0.79 CA12 (0.53) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL619604 0.79 CA12 (0.53) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL15390453 0.78 KAT2B (0.52) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL619682 0.78 KAT2B (0.49) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL619683 0.78 KAT2B (0.49) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL7760101 0.78 KAT2B (0.47) KAT2BBAZ2BPDE4DPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3061747-B1 PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai hengrui pharmaceutical co ltd (CN) 2021-04-07 EP disclosed
US-10064848-B2 Pyridic ketone derivatives, method of preparing same, and pharmaceutical application thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2018-09-04 US disclosed
US-9914703-B2 Pyridic ketone derivatives, method of preparing same, and pharmaceutical application thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2018-03-13 US disclosed
US-9914703-B2 Pyridic ketone derivatives, method of preparing same, and pharmaceutical application thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2018-03-13 US disclosed
US-20180016236-A1 PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2018-01-18 US disclosed
US-20180016236-A1 PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2018-01-18 US disclosed
US-20180016236-A1 PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2018-01-18 US disclosed
EP-3061747-A1 PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2016-08-31 EP disclosed
EP-3061747-A1 PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2016-08-31 EP disclosed
US-20160244410-A1 PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2016-08-25 US disclosed
US-20160244410-A1 PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2016-08-25 US disclosed
US-20160244410-A1 PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2016-08-25 US disclosed
WO-2015058589-A1 PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF 上海恒瑞医药有限公司 2015-04-30 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 (3 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-10064848-B2 Pyridic ketone derivatives, method of preparing same, and pharmaceutical application thereof PDXK, MAP4K2, MAP3K6 KAT2B 3546/4885BAZ2B 2496/4885PDE4D 1910/4885
US-20160244410-A1 PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF PDXK, PNPO, MAP2K5 KAT2B 3595/4885BAZ2B 2116/4885PDE4D 2769/4885
US-20180016236-A1 PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF PDXK, MAP4K2, MAP3K6 KAT2B 3546/4885BAZ2B 2496/4885PDE4D 1910/4885

“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.