SCHEMBL20554668

SCHEMBL20554668

Nc1cncc(Oc2ccnc(C(F)(F)F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.44
▸ FEN1 P39748 2/20 0.44
▸ LOXL2 Q9Y4K0 2/20 0.41
▸ LOX P28300 1/20 0.40
▸ IDO1 P14902 1/20 0.35
▸ CA2 P00918 1/20 0.34
▸ CHKA P35790 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL30132589 1.00 ALOX5AP (0.44) ALOX5APFEN1LOXL2LOXIDO1
SCHEMBL27894825 0.82 LOXL2 (0.50) ALOX5APFEN1LOXL2LOXIDO1
SCHEMBL1643206 0.81 ALDH1A1 (0.47) ALOX5APFEN1LOXL2LOXKCNH2
SCHEMBL20554243 0.75 SCN9A (0.52) CA2KCNH2SCN5ASCN9AALDH1A1
SCHEMBL30132565 0.75 TSHR (0.47) ALDH1A1MAPT
SCHEMBL20554364 0.75 TSHR (0.47) ALDH1A1MAPT
SCHEMBL20554634 0.74 TLR8 (0.40) KCNH2SCN5ASCN9AALDH1A1MAPT
SCHEMBL5669483 0.74 BLM (0.48) ALOX5APFEN1LOXL2LOXTGFBR1
SCHEMBL29564344 0.73 SCN9A (0.53) KCNH2SCN5ASCN9AALDH1A1MAPT
SCHEMBL29564492 0.73 KCNH2 (0.43) KCNH2SCN5ASCN9AALDH1A1MAPT

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 ALOX5AP 2106/4885FEN1 4612/4885LOXL2 626/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB ALOX5AP 2252/4885FEN1 4625/4885LOXL2 624/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 ALOX5AP 3062/4885FEN1 4266/4885LOXL2 1209/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 ALOX5AP 2872/4885FEN1 4258/4885LOXL2 1239/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 ALOX5AP 3062/4885FEN1 4266/4885LOXL2 1209/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 ALOX5AP 2872/4885FEN1 4258/4885LOXL2 1239/4885

“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.

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