SCHEMBL18338558

SCHEMBL18338558

CC(C)(C)OC(=O)NC1CCCC(C(=O)OCc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.60
KMT2A Q03164 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
CTSL P07711 1/20 0.48
TSHR P16473 2/20 0.48
EPHX1 P07099 1/20 0.48
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
FKBP1A P62942 3/20 0.45
MEN1 O00255 1/20 0.45
SYK P43405 1/20 0.44
CPB1 P15086 1/20 0.44
TLR4 O00206 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL18360420 1.00 BTK (0.60) BTKKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL19719164 1.00 BTK (0.60) BTKKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL18338559 1.00 BTK (0.60) BTKKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL21377005 1.00 BTK (0.60) BTKKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL14169340 0.93 ALDH1A1 (0.58) BTKKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL20625306 0.92 ALDH1A1 (0.58) BTKKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL31333590 0.91 ALDH1A1 (0.56) BTKKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL31333924 0.91 ALDH1A1 (0.56) BTKKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL2670623 0.90 KMT2A (0.63) BTKKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL6370475 0.90 KMT2A (0.63) BTKKMT2AL3MBTL1ALDH1A1GAA

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
US-20230192703-A1 Polycyclic amide derivative as CDK9 inhibitor, preparation method therefor and use thereof Suzhou Alphama Biotechnology Co., Ltd. (CN) 2023-06-22 US disclosed
US-20220340592-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2022-10-27 US disclosed
US-11352369-B2 Pyridine and pyrimidine derivatives ASTRAZENECA AB (SE) 2022-06-07 US disclosed
WO-2021227904-A1 POLYCYCLIC AMIDE DERIVATIVE AS CDK9 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州阿尔脉生物科技有限公司 2021-11-18 WO disclosed
EP-3539961-B1 POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS ASTRAZENECA AB (SE) 2021-10-06 EP disclosed
US-20210171541-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2021-06-10 US disclosed
CN-107873028-B Polycyclic amide derivatives useful as CDK9 inhibitors 阿斯利康(瑞典)有限公司 2021-02-02 CN disclosed
US-10717746-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-07-21 US disclosed
EP-3539961-A1 POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS Astrazeneca AB (SE) 2019-09-18 EP disclosed
EP-3313838-B1 POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS ASTRAZENECA AB (SE) 2019-04-03 EP disclosed
US-20180093998-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-04-05 US disclosed
US-9845331-B2 Chemical compounds ASTRAZENECA AB (SE) 2017-12-19 US disclosed
US-20160376287-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-12-29 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 (7 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-20220340592-A1 CHEMICAL COMPOUNDS CDK9, BCL9, BCL9L BTK 398/4885KMT2A 138/4885L3MBTL1 1489/4885
US-20210171541-A1 CHEMICAL COMPOUNDS CDK9, BCL9, BCL9L BTK 398/4885KMT2A 138/4885L3MBTL1 1489/4885
US-20230192703-A1 Polycyclic amide derivative as CDK9 inhibitor, preparation method therefor and use thereof CDK9, CDK8, CDK19 BTK 753/4885KMT2A 93/4885L3MBTL1 987/4885
US-20160376287-A1 Chemical Compounds CDK9, BCL9, BCL9L BTK 398/4885KMT2A 138/4885L3MBTL1 1489/4885
US-10717746-B2 Chemical compounds CDK9, BCL9, BCL9L BTK 398/4885KMT2A 138/4885L3MBTL1 1489/4885
US-20180093998-A1 CHEMICAL COMPOUNDS CDK9, BCL9, BCL9L BTK 398/4885KMT2A 138/4885L3MBTL1 1489/4885
US-11352369-B2 Pyridine and pyrimidine derivatives CDK9, BCL9, CDK19 BTK 291/4885KMT2A 236/4885L3MBTL1 1338/4885

“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.