SCHEMBL3380627

SCHEMBL3380627

Nc1ncc(Br)c2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ APAF1 O14727 1/20 0.58
▸ TDP2 O95551 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ CASP3 P42574 1/20 0.58
▸ SENP8 Q96LD8 1/20 0.58
▸ SENP7 Q9BQF6 1/20 0.58
▸ SENP6 Q9GZR1 1/20 0.58
▸ HSP90AA1 P07900 5/20 0.49
▸ HTT P42858 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ MAP4K4 O95819 1/20 0.46
▸ MINK1 Q8N4C8 1/20 0.46
▸ TNIK Q9UKE5 1/20 0.46

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
SCHEMBL31266449 0.85 KMT2A (0.53) MEN1KMT2AAPAF1TDP2ALDH1A1
SCHEMBL11910994 0.80 KDM4E (0.52) MEN1KMT2AAPAF1TDP2ALDH1A1
SCHEMBL13370787 0.80 HSP90AA1 (0.53) MEN1KMT2AAPAF1TDP2ALDH1A1
SCHEMBL31452767 0.77 MMP14 (0.53) MEN1KMT2AAPAF1TDP2ALDH1A1
SCHEMBL22281921 0.77 CCR1 (0.50) MEN1KMT2AAPAF1TDP2ALDH1A1
SCHEMBL25261222 0.77 HSP90AA1 (0.53) MEN1KMT2AAPAF1TDP2ALDH1A1
SCHEMBL30319517 0.77 HSP90AA1 (0.53) MEN1KMT2AAPAF1TDP2ALDH1A1
SCHEMBL21645154 0.77 KDM4E (0.49) MEN1KMT2AAPAF1TDP2ALDH1A1
SCHEMBL18980400 0.77 L3MBTL1 (0.50) MEN1KMT2AAPAF1TDP2ALDH1A1
SCHEMBL3381245 0.77 KDM4E (0.49) MEN1KMT2AAPAF1TDP2ALDH1A1

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 29 patents — showing the first 20. 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
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 — — EP disclosed
US-20230183246-A1 CONTINUOUS FLOW SONOGASHIRA COUPLING SYNTHESIS METHOD PURDUE RESEARCH FOUNDATION (US) 2023-06-15 — — US disclosed
US-20230183246-A1 CONTINUOUS FLOW SONOGASHIRA COUPLING SYNTHESIS METHOD PURDUE RESEARCH FOUNDATION (US) 2023-06-15 — — US disclosed
US-20230183246-A1 CONTINUOUS FLOW SONOGASHIRA COUPLING SYNTHESIS METHOD PURDUE RESEARCH FOUNDATION (US) 2023-06-15 — — US disclosed
EP-4153568-A2 CONTINUOUS FLOW SONOGASHIRA COUPLING SYNTHESIS METHOD Purdue Research Foundation (US) 2023-03-29 — — EP 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
EP-4011882-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES Purdue Research Foundation (US) 2022-06-15 — — EP disclosed
US-11332455-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-05-17 — — US disclosed
EP-3401309-A1 a, ß UNSATURATED AMIDE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2018-11-14 — — EP disclosed
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS Marck Sharp & Dohme Corp. (US) 2018-06-28 — — US disclosed
EP-3313828-A1 METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-05-02 — — EP disclosed
WO-2018035072-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES PURDUE RESEARCH FOUNDATION (US) 2018-02-22 — — WO disclosed
WO-2016210234-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 — — WO disclosed
EP-1934216-B1 NAPHTHYRIDIN DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-11-24 — — EP disclosed
US-7511055-B2 Naphthyridin derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 — — US disclosed
EP-1934216-A1 NAPHTHYRIDIN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 — — EP disclosed
WO-2007039512-A1 NAPHTHYRIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 — — WO disclosed
US-20070078155-A1 Naphthyridin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-05 — — US 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-20070078155-A1 Naphthyridin derivatives GRM5, GRM3, GRM1 MEN1 2575/4885KMT2A 2714/4885APAF1 4473/4885
US-20230183246-A1 CONTINUOUS FLOW SONOGASHIRA COUPLING SYNTHESIS METHOD THPO, TALDO1, PAICS MEN1 104/4885KMT2A 1097/4885APAF1 2873/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB MEN1 1979/4885KMT2A 927/4885APAF1 4685/4885
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS ALPI, GAA, ZFX MEN1 700/4885KMT2A 1206/4885APAF1 2657/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 MEN1 1930/4885KMT2A 593/4885APAF1 4684/4885

“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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