SCHEMBL3415059

SCHEMBL3415059

COC(=O)c1nc(NC(=O)c2nc(NC(=O)OC(C)(C)C)cn2C)cn1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
ATR Q13535 1/20 0.38
LCK P06239 6/20 0.34
RPS6KA2 Q15349 1/20 0.34
RPS6KA3 P51812 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
PSMB8 P28062 1/20 0.32
NAMPT P43490 1/20 0.32
SCN9A Q15858 1/20 0.32
LEF1 Q9UJU2 1/20 0.31

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
SCHEMBL3418695 0.95 GSK3B (0.42) GSK3BDYRK1AATRLCKRPS6KA3
SCHEMBL2390936 0.88 GSK3B (0.40) GSK3BDYRK1ALCKRPS6KA2IRAK4
SCHEMBL2389887 0.88 GSK3B (0.40) GSK3BDYRK1ALCKRPS6KA2IRAK4
SCHEMBL2390274 0.88 RPS6KA3 (0.45) GSK3BDYRK1ALCKRPS6KA3
SCHEMBL2389890 0.88 RPS6KA3 (0.45) GSK3BDYRK1ALCKRPS6KA3
SCHEMBL15428461 0.86 HDAC1 (0.40) GSK3BDYRK1AATRLCKRPS6KA2
SCHEMBL13879836 0.86 GSK3B (0.35) GSK3BDYRK1AATRLCKRPS6KA2
SCHEMBL18574433 0.86 NAMPT (0.45) LCKNAMPT
SCHEMBL6428501 0.85 GSK3B (0.41) GSK3BDYRK1AATRLCKRPS6KA2
SCHEMBL3417370 0.85 HDAC1 (0.39) GSK3BDYRK1AATRLCKRPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149550-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-05-18 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-8426402-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2013-04-23 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-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-1430028-A2 AROMATIC AND HETEROAROMATIC ACID HALIDES FOR SYNTHESIZING POLYAMIDES Pharmacia Corporation (US) 2004-06-23 EP disclosed
US-20040092770-A1 Alpha-haloenamine reagents PHARMACIA CORPORATION 2004-05-13 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-2003018552-A2 AROMATIC AND HETEROAROMATIC ACID HALIDES FOR SYNTHESIZING POLYAMIDES PHARMACIA CORPORATION (US) 2003-03-06 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-20230149550-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE DMPK, DTYMK, MYCBP GSK3B 2915/4885DYRK1A 3132/4885ATR 2972/4885
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

“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.