SCHEMBL20554377

SCHEMBL20554377

C=CC(=O)Nc1ccc(OC2CCCCC2)c2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.53
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
EGFR P00533 8/20 0.39
KDR P35968 1/20 0.38
MAPK3 P27361 1/20 0.38
BTK Q06187 1/20 0.37
FGFR4 P22455 1/20 0.37
MET P08581 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL20554452 0.89 EGFR (0.46) PDE4DPTPN1PTPN11EGFRMAPK3
SCHEMBL20554325 0.88 EGFR (0.47) PDE4DPTPN1PTPN11EGFR
SCHEMBL20554447 0.88 PDE4D (0.44) PDE4DPTPN1PTPN11EGFRKDR
SCHEMBL20554396 0.85 PDE4D (0.47) PDE4DPTPN1PTPN11EGFRKDR
SCHEMBL20554196 0.79 KDM4E (0.44) PDE4DPTPN1PTPN11EGFRKDR
SCHEMBL20554543 0.77 PTPN1 (0.51) PDE4DPTPN1PTPN11EGFRBTK
SCHEMBL20554427 0.77 PDE4D (0.46) PDE4DPTPN1PTPN11EGFRKDR
SCHEMBL20554145 0.76 SLC40A1 (0.51) PTPN1PTPN11EGFRKDRBTK
SCHEMBL30132477 0.75 PDE4D (0.48) PDE4DPTPN1PTPN11EGFRKDR
SCHEMBL20554080 0.75 BRD4 (0.46) PDE4DPTPN1PTPN11EGFRKDR

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 PDE4D 4537/4885PTPN1 2422/4885PTPN11 2773/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB PDE4D 4580/4885PTPN1 2080/4885PTPN11 2511/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 PDE4D 4600/4885PTPN1 2061/4885PTPN11 2609/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 PDE4D 4560/4885PTPN1 2461/4885PTPN11 2952/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 PDE4D 4600/4885PTPN1 2061/4885PTPN11 2609/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 PDE4D 4560/4885PTPN1 2461/4885PTPN11 2952/4885

“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.