SCHEMBL20554331

SCHEMBL20554331

C=CC(=O)Nc1ccc(OC[C@H]2CC[C@@H](C(F)(F)F)CC2)c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.48
EGFR P00533 13/20 0.41
KDR P35968 11/20 0.41
PTPN1 P18031 1/20 0.39
PTPN11 Q06124 1/20 0.39
BTK Q06187 3/20 0.37
EPHX2 P34913 1/20 0.36
MET P08581 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
SCHEMBL20554330 1.00 PDE4D (0.48) PDE4DEGFRKDRPTPN1PTPN11
SCHEMBL30132477 1.00 PDE4D (0.48) PDE4DEGFRKDRPTPN1PTPN11
SCHEMBL20608945 1.00 PDE4D (0.48) PDE4DEGFRKDRPTPN1PTPN11
SCHEMBL20554396 0.87 PDE4D (0.47) PDE4DEGFRKDRPTPN1PTPN11
SCHEMBL20554317 0.86 PDE4D (0.47) PDE4DEGFRKDRPTPN1PTPN11
SCHEMBL20554427 0.85 PDE4D (0.46) PDE4DEGFRKDRPTPN1PTPN11
SCHEMBL20554456 0.80 GRM4 (0.42) PDE4DEGFRPTPN1PTPN11
SCHEMBL20608946 0.78 GRM4 (0.45) PDE4DEGFRKDRPTPN1PTPN11
SCHEMBL20554196 0.77 KDM4E (0.44) PDE4DEGFRKDRPTPN1PTPN11
SCHEMBL20554377 0.75 PDE4D (0.53) PDE4DEGFRKDRPTPN1PTPN11

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 10 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-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 (5 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 4537/4885EGFR 613/4885KDR 1956/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB PDE4D 4580/4885EGFR 492/4885KDR 1798/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 PDE4D 4600/4885EGFR 457/4885KDR 1992/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 PDE4D 4600/4885EGFR 457/4885KDR 1992/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 PDE4D 4560/4885EGFR 605/4885KDR 2150/4885

“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.