SCHEMBL20554648

SCHEMBL20554648

N#Cc1ccc(F)c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MPI P34949 1/20 0.47
LRRK2 Q5S007 1/20 0.45
CYP11B2 P19099 1/20 0.41
SLC40A1 Q9NP59 1/20 0.40
SLC22A12 Q96S37 3/20 0.39
TLR8 Q9NR97 1/20 0.39
HSP90AA1 P07900 2/20 0.38
NPC1 O15118 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
ELANE P08246 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CLK4 Q9HAZ1 1/20 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
SCHEMBL4522163 0.86 PARP1 (0.41) KDM4EL3MBTL1MPILRRK2MALT1
SCHEMBL29826020 0.86 L3MBTL1 (0.56) KDM4EL3MBTL1MPILRRK2CYP11B2
SCHEMBL20554409 0.86 L3MBTL1 (0.56) KDM4EL3MBTL1MPILRRK2CYP11B2
SCHEMBL3525315 0.79 MEN1 (0.49) L3MBTL1LRRK2SLC22A12TLR8HSP90AA1
SCHEMBL11973624 0.79 MEN1 (0.54) L3MBTL1LRRK2SLC40A1SLC22A12TLR8
SCHEMBL13977558 0.79 PSMD14 (0.56) L3MBTL1LRRK2SLC40A1SLC22A12TLR8
SCHEMBL1187421 0.79 HSP90AA1 (0.61) KDM4EL3MBTL1MPIHSP90AA1NPC1
SCHEMBL6975950 0.79 MEN1 (0.46) KDM4EL3MBTL1LRRK2SLC40A1SLC22A12
SCHEMBL19990071 0.78 KDM4E (0.70) KDM4EL3MBTL1MPISLC40A1HSP90AA1
SCHEMBL1715308 0.77 ALDH1A1 (0.46) KDM4EL3MBTL1LRRK2CYP11B2SLC40A1

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
EP-4466260-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2024-11-27 EP disclosed
CN-118574821-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2024-08-30 CN disclosed
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 WO disclosed
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 WO disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 CN disclosed
US-11447471-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-09-20 US disclosed
US-11332455-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-05-17 US disclosed
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-12-09 US disclosed
US-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-05-27 US disclosed
US-10787428-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2020-09-29 US disclosed
EP-3712129-A1 ALPHA, BETA-UNSATURATED AMIDE COMPOUND Kyowa Kirin Co., Ltd. (JP) 2020-09-23 EP disclosed
CN-110770211-A α unsaturated amide compound 协和麒麟株式会社 2020-02-07 CN disclosed
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-01-10 US disclosed
EP-3401309-A1 a, ß UNSATURATED AMIDE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2018-11-14 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 (6 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-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, RXRA KDM4E 4216/4885L3MBTL1 2435/4885MPI 4778/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB KDM4E 4037/4885L3MBTL1 2437/4885MPI 4806/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 KDM4E 3428/4885L3MBTL1 3176/4885MPI 4718/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 KDM4E 3742/4885L3MBTL1 3129/4885MPI 4664/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 KDM4E 3428/4885L3MBTL1 3176/4885MPI 4718/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 KDM4E 3742/4885L3MBTL1 3129/4885MPI 4664/4885

“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.