SCHEMBL310364

SCHEMBL310364

COc1cc(N2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.53
EGFR P00533 2/20 0.49
GPR119 Q8TDV5 8/20 0.46
KDM4E B2RXH2 2/20 0.45
ALK Q9UM73 2/20 0.44
STS P08842 1/20 0.43

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
SCHEMBL517794 0.96 ALDH1A1 (0.55) SIRT6ALDH1A1LMNAMAPTEGFR
SCHEMBL25370804 0.91 SIRT6 (0.56) SIRT6ALDH1A1LMNAMAPTEGFR
SCHEMBL29802982 0.90 MAPT (0.65) SIRT6ALDH1A1LMNAMAPTKDM4E
SCHEMBL310369 0.90 MAPT (0.65) SIRT6ALDH1A1LMNAMAPTKDM4E
SCHEMBL28795348 0.89 ALDH1A1 (0.53) SIRT6ALDH1A1LMNAMAPTEGFR
SCHEMBL310101 0.89 GPR119 (0.59) SIRT6ALDH1A1LMNAMAPTGPR119
SCHEMBL31700579 0.86 MAPT (0.53) SIRT6ALDH1A1LMNAMAPTGPR119
SCHEMBL310050 0.86 MAPT (0.48) SIRT6ALDH1A1LMNAMAPTEGFR
SCHEMBL28795204 0.85 SMN1; SMN2 (0.47) ALDH1A1LMNAMAPTEGFRGPR119
SCHEMBL3635783 0.84 SIRT6 (0.53) SIRT6ALDH1A1LMNAMAPTKDM4E

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 US disclosed
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 US disclosed
CN-116323580-A Conjugated degradation (EGFR) of EGFR inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2023-06-23 CN disclosed
CN-114805303-A Molecule with double functions of degrading EGFR (epidermal growth factor receptor), composition and pharmaceutical application thereof 海思科医药集团股份有限公司 2022-07-29 CN disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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 (3 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-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 SIRT6 2858/4885ALDH1A1 3281/4885LMNA 4230/4885
US-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 SIRT6 1497/4885ALDH1A1 3410/4885LMNA 2828/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 SIRT6 1497/4885ALDH1A1 3410/4885LMNA 2828/4885

“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.