SCHEMBL2205083

SCHEMBL2205083

COc1cc(N2CCN(C(C)=O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 3/20 0.72
ALDH1A1 P00352 3/20 0.71
LMNA P02545 1/20 0.71
MAPT P10636 6/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
KDM4E B2RXH2 1/20 0.55
HTR6 P50406 1/20 0.52
ALK Q9UM73 1/20 0.52
GAA P10253 1/20 0.51
DCTPP1 Q9H773 1/20 0.50
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL12479736 0.90 SIRT6 (0.72) SIRT6ALDH1A1LMNAMAPTMEN1
SCHEMBL375759 0.90 ALDH1A1 (0.71) SIRT6ALDH1A1LMNAMAPTMEN1
SCHEMBL12479741 0.90 SIRT6 (0.72) SIRT6ALDH1A1LMNAMAPTMEN1
SCHEMBL310045 0.89 ALDH1A1 (0.60) SIRT6ALDH1A1LMNAMAPTMEN1
SCHEMBL3319801 0.87 SIRT6 (0.59) SIRT6ALDH1A1LMNAMAPTMEN1
SCHEMBL3319808 0.87 SIRT6 (0.59) SIRT6ALDH1A1LMNAMAPTMEN1
SCHEMBL12312138 0.86 SIRT6 (0.67) SIRT6ALDH1A1LMNAMAPTMEN1
SCHEMBL12312123 0.86 SIRT6 (0.67) SIRT6ALDH1A1LMNAMAPTMEN1
SCHEMBL16753004 0.86 MAPT (0.73) SIRT6ALDH1A1LMNAMAPTMEN1
SCHEMBL1911904 0.86 SIRT6 (0.67) SIRT6ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136576-A1 Heterocyclic Compounds and Uses Thereof ACEA Therapeutics, Inc. (US) 2025-05-01 US disclosed
CN-118159533-A Heterocyclic compounds and their use 艾森医药有限公司 2024-06-07 CN disclosed
EP-4370212-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2024-05-22 EP disclosed
WO-2023287783-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2023-01-19 WO disclosed
WO-2023287783-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2023-01-19 WO disclosed
CN-105384694-B Substituted aminopyrimidine derivative and preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2020-09-04 CN disclosed
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
WO-2014134308-A1 SUBSTITUTED 7-OXO-PYRIDO [2, 3-D] PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF EGFR / ERBB2 RELATED DISORDERS AMGEN INC. (US) 2014-09-04 WO disclosed
US-20140249131-A1 Substituted 7-Oxo-Pyrido[2,3-d]Pyrimidines and Methods of Use AMGEN INC. 2014-09-04 US disclosed
EP-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 EP disclosed
US-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 US disclosed
US-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 US disclosed
EP-2188292-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2010-05-26 EP disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 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-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 SIRT6 3491/4885ALDH1A1 2257/4885LMNA 4110/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 SIRT6 3491/4885ALDH1A1 2257/4885LMNA 4110/4885
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer IGF1R, IGFBP2, IGFBP1 SIRT6 1461/4885ALDH1A1 378/4885LMNA 4161/4885
US-20140249131-A1 Substituted 7-Oxo-Pyrido[2,3-d]Pyrimidines and Methods of Use DPYD, TYMP, TYMS SIRT6 1199/4885ALDH1A1 728/4885LMNA 1897/4885
US-20250136576-A1 Heterocyclic Compounds and Uses Thereof CHEK2, CDK2, CDK1 SIRT6 2275/4885ALDH1A1 1877/4885LMNA 1848/4885

“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.