SCHEMBL16339902

SCHEMBL16339902

COC(=O)[C@@H]1C=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.40
PTPN1 P18031 2/20 0.36
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
PDE4B Q07343 1/20 0.32
BUB1 O43683 1/20 0.31
ALDH1A1 P00352 2/20 0.31
DGAT1 O75907 1/20 0.31
MAPK1 P28482 2/20 0.30
NPC1 O15118 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL28648680 1.00 USP30 (0.40) USP30PTPN1NR1H2NR1H3AAK1
SCHEMBL16339903 1.00 USP30 (0.40) USP30PTPN1NR1H2NR1H3AAK1
SCHEMBL23991519 0.90 USP30 (0.35) USP30PTPN1PDE4B
SCHEMBL16386337 0.88 USP30 (0.39) USP30NR1H2AAK1BUB1MAPK1
SCHEMBL20846179 0.86 PTPN1 (0.34) USP30PTPN1NR1H2NR1H3ALDH1A1
SCHEMBL16339241 0.84 MAPK1 (0.33) MAPK1
SCHEMBL19078451 0.83 USP30 (0.38) USP30NR1H2AAK1BUB1MAPK1
SCHEMBL16909853 0.82 PTPN1 (0.41) USP30PTPN1NR1H2NR1H3AAK1
SCHEMBL29280770 0.81 USP30 (0.36) USP30PTPN1AAK1BUB1DGAT1
SCHEMBL23991558 0.81 USP30 (0.36) USP30PTPN1AAK1BUB1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
US-11618753-B2 Aminopyrrolotriazines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-04 US disclosed
CN-113563245-A Substituted pyrrolidine compounds and application thereof in medicines 广东东阳光药业有限公司 2021-10-29 CN disclosed
CN-113563244-A Substituted aza five-membered ring compound and application thereof in medicine 广东东阳光药业有限公司 2021-10-29 CN disclosed
CN-112262139-A Aminopyrrolotriazines as kinase inhibitors 百时美施贵宝公司 2021-01-22 CN disclosed
EP-3743430-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2020-12-02 EP disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
WO-2019147782-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-01 WO disclosed
US-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-07-06 US disclosed
US-9549921-B2 Heterocyclic compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-9549921-B2 Heterocyclic compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-9549921-B2 Heterocyclic compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-20160143895-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2016-05-26 US disclosed
US-20160143895-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2016-05-26 US disclosed
US-20160143895-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2016-05-26 US disclosed
EP-3013333-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C Merck Sharp & Dohme Corp. (US) 2016-05-04 EP disclosed
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2016-03-03 US disclosed
WO-2014209729-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-12-31 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 (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-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 USP30 3406/4885PTPN1 1263/4885NR1H2 3479/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 USP30 4095/4885PTPN1 1668/4885NR1H2 2271/4885
US-20160143895-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C HCCS, HAVCR2, CPS1 USP30 2743/4885PTPN1 2842/4885NR1H2 353/4885
US-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MC1R, MC5R, MC3R USP30 4009/4885PTPN1 1131/4885NR1H2 1294/4885
US-11618753-B2 Aminopyrrolotriazines as kinase inhibitors RIPK1, RIPK2, RIPK4 USP30 4095/4885PTPN1 1668/4885NR1H2 2271/4885

“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.