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SCHEMBL3418695

SCHEMBL3418695

COC(=O)c1nc(NC(=O)OC(C)(C)C)cn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ ATR Q13535 1/20 0.41
▸ PSMB8 P28062 1/20 0.34
▸ LCK P06239 3/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ CYP17A1 P05093 2/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ CA1 P00915 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ NAMPT P43490 1/20 0.32

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
SCHEMBL3415059 0.95 GSK3B (0.39) GSK3BDYRK1AATRPSMB8LCK
SCHEMBL1986577 0.87 GSK3B (0.43) GSK3BDYRK1AATRPSMB8LCK
SCHEMBL7079271 0.87 RPS6KA3 (0.43) GSK3BDYRK1AKMT2AP2RX7RPS6KA3
SCHEMBL6428332 0.86 GSK3B (0.42) GSK3BDYRK1AATRLCKSCN9A
SCHEMBL18574435 0.86 GSK3B (0.42) GSK3BDYRK1AATRLCKSCN9A
SCHEMBL3417370 0.85 HDAC1 (0.39) GSK3BDYRK1AATRPSMB8LCK
SCHEMBL6428501 0.84 GSK3B (0.41) GSK3BDYRK1AATRLCKSCN9A
SCHEMBL18574433 0.83 NAMPT (0.45) LCKCYP17A1MEN1NPC1RAB9A
SCHEMBL2390274 0.82 RPS6KA3 (0.45) GSK3BDYRK1ALCKNPC1RAB9A
SCHEMBL2389890 0.82 RPS6KA3 (0.45) GSK3BDYRK1ALCKNPC1RAB9A

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF LEGOCHEM BIOSCIENCES, INC. (KR) 2023-10-05 — — US disclosed
US-11505617-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2022-11-22 — — US disclosed
CN-108727407-B Novel benzodiazepine derivatives 伊缪诺金公司 2022-01-28 — — CN disclosed
US-20210238301-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2021-08-05 — — US disclosed
US-20210238301-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2021-08-05 — — US disclosed
US-10947315-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2021-03-16 — — US disclosed
US-10947315-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2021-03-16 — — US disclosed
CN-105198908-B Novel benzodiazepine derivatives 伊缪诺金公司 2019-12-24 — — CN disclosed
US-20190276552-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2019-09-12 — — US disclosed
US-20190276552-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2019-09-12 — — US disclosed
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC. (US) 2010-08-12 — — US disclosed
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC. (US) 2010-08-12 — — US disclosed
US-6924396-B2 α-haloenamine reagents PHARMACIA CORPORATION (US) 2005-08-02 — — US disclosed
EP-1421056-A1 (ALPHA)-HALOENAMINE REAGENTS Pharmacia Corporation (US) 2004-05-26 — — EP disclosed
US-20040092770-A1 Alpha-haloenamine reagents PHARMACIA CORPORATION 2004-05-13 — — US disclosed
US-6677487-B2 COMBINING A TERTIARY AMIDE WITH A PENTAVALENT PHOSPHOROUS HALIDE IN A SOLVENT TO FORM AN ALPHA - HALOIMINIUM SALT AND CONVERTING THE ALPHA -HALOIMINIUM SALT TO THE ALPHA -HALOENAMINE WITH A BASE PHARMACIA CORPORATION 2004-01-13 — — US disclosed
US-20030105279-A1 Aromatic and heteroaromatic acid halides for synthesizing polyamides PHARMACIA CORPORATION 2003-06-05 — — US disclosed
US-20030080320-A1 Alpha- haloenamine reagents PHARMACIA CORPORATION 2003-05-01 — — US disclosed
WO-2003020877-A2 STAINING AND SORTING GENOMES AND CHROMOSOMES USING SEQUENCE-SPECIFIC POLYAMIDES PHARMACIA CORPORATION (US) 2003-03-13 — — WO disclosed
WO-2003020684-A1 (ALPHA)-HALOENAMINE REAGENTS PHARMACIA CORPORATION (US) 2003-03-13 — — WO 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 (9 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-20210238301-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 GSK3B 193/4885DYRK1A 2155/4885ATR 3258/4885
US-20190276552-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 GSK3B 193/4885DYRK1A 2155/4885ATR 3258/4885
US-20030080320-A1 Alpha- haloenamine reagents HNMT, HDHD5, NISCH GSK3B 2745/4885DYRK1A 1290/4885ATR 4102/4885
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 GSK3B 193/4885DYRK1A 2155/4885ATR 3258/4885
US-20040092770-A1 Alpha-haloenamine reagents HNMT, HDHD5, NISCH GSK3B 2745/4885DYRK1A 1290/4885ATR 4102/4885
US-11505617-B2 Benzodiazepine derivatives GABBR1, GABRB1, GABRA1 GSK3B 102/4885DYRK1A 1900/4885ATR 3171/4885
US-20030105279-A1 Aromatic and heteroaromatic acid halides for synthesizing polyamides AAAS, HTT, HRH4 GSK3B 4778/4885DYRK1A 548/4885ATR 1699/4885
US-10947315-B2 Benzodiazepine derivatives GABBR1, GABRB1, GABRA1 GSK3B 102/4885DYRK1A 1900/4885ATR 3171/4885
US-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF BCR, PDCD1LG2, PRLHR GSK3B 4048/4885DYRK1A 991/4885ATR 4347/4885

“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.