SCHEMBL20554355

SCHEMBL20554355

NCc1cnc(Oc2ccc(Cl)cc2)c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ L3MBTL1 Q9Y468 7/20 0.37
▸ HTT P42858 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 3/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL30132681 1.00 RAB9A (0.45) RAB9AALDH1A1KDM4EFLT1KDR
Hydrochloric Acid SCHEMBL20554880 0.81 RAB9A (0.47) RAB9AALDH1A1KDM4EFLT1KDR
Hydrochloric Acid SCHEMBL30132617 0.81 RAB9A (0.47) RAB9AALDH1A1KDM4EFLT1KDR
SCHEMBL20554176 0.80 GRM4 (0.41) RAB9AALDH1A1KDM4EKMT2AMEN1
SCHEMBL20554286 0.80 RAB9A (0.45) RAB9AALDH1A1KDM4EFLT1KDR
SCHEMBL30132709 0.77 RAB9A (0.41) RAB9AALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL20554390 0.77 RAB9A (0.41) RAB9AALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL30132488 0.76 PIN1 (0.46) RAB9AALDH1A1KDM4EKMT2AMEN1
SCHEMBL20554828 0.76 PIN1 (0.46) RAB9AALDH1A1KDM4EKMT2AMEN1
SCHEMBL20554488 0.73 L3MBTL1 (0.50) RAB9AALDH1A1KDM4EKDRKMT2A

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 RAB9A 3402/4885ALDH1A1 675/4885KDM4E 4216/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB RAB9A 3497/4885ALDH1A1 683/4885KDM4E 4037/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 RAB9A 3435/4885ALDH1A1 816/4885KDM4E 3428/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 RAB9A 3287/4885ALDH1A1 754/4885KDM4E 3742/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 RAB9A 3435/4885ALDH1A1 816/4885KDM4E 3428/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 RAB9A 3287/4885ALDH1A1 754/4885KDM4E 3742/4885

“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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