SCHEMBL20554452

SCHEMBL20554452

C=CC(=O)Nc1ccc(OC2CCOCC2)c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.46
PDE4D Q08499 3/20 0.45
TBK1 Q9UHD2 1/20 0.44
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43
ITK Q08881 1/20 0.41
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
BTK Q06187 1/20 0.40
MAPK3 P27361 3/20 0.39
MAPK1 P28482 3/20 0.39

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
SCHEMBL20554377 0.89 PDE4D (0.53) EGFRPDE4DPTPN1PTPN11BTK
SCHEMBL20554325 0.88 EGFR (0.47) EGFRPDE4DPTPN1PTPN11ITK
SCHEMBL20554447 0.86 PDE4D (0.44) EGFRPDE4DPTPN1PTPN11MAPK3
SCHEMBL20554427 0.86 PDE4D (0.46) EGFRPDE4DPTPN1PTPN11
SCHEMBL20554456 0.79 GRM4 (0.42) EGFRPDE4DPTPN1PTPN11
SCHEMBL20554196 0.77 KDM4E (0.44) EGFRPDE4DPTPN1PTPN11BTK
SCHEMBL20554396 0.77 PDE4D (0.47) EGFRPDE4DPTPN1PTPN11
SCHEMBL30744780 0.77 KDM4E (0.50) PDE4DTBK1
SCHEMBL20554543 0.76 PTPN1 (0.51) EGFRPDE4DPTPN1PTPN11BTK
SCHEMBL20554145 0.74 SLC40A1 (0.51) EGFRPTPN1PTPN11BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN 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 EGFR 613/4885PDE4D 4537/4885TBK1 3495/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB EGFR 492/4885PDE4D 4580/4885TBK1 3458/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 EGFR 457/4885PDE4D 4600/4885TBK1 3217/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 EGFR 605/4885PDE4D 4560/4885TBK1 3257/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 EGFR 457/4885PDE4D 4600/4885TBK1 3217/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 EGFR 605/4885PDE4D 4560/4885TBK1 3257/4885

“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.