SCHEMBL310045

SCHEMBL310045

COc1cc(N2CCC(N3CCN(C(C)=O)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 5/20 0.58
SIRT6 Q8N6T7 1/20 0.58
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PLK1 P53350 4/20 0.47
EGFR P00533 1/20 0.46
ALK Q9UM73 1/20 0.46
KDM4E B2RXH2 3/20 0.45

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
SCHEMBL518300 0.92 ALDH1A1 (0.60) ALDH1A1LMNAMAPTSIRT6MEN1
SCHEMBL518299 0.92 ALDH1A1 (0.60) ALDH1A1LMNAMAPTSIRT6MEN1
SCHEMBL2205083 0.89 SIRT6 (0.72) ALDH1A1LMNAMAPTSIRT6MEN1
SCHEMBL519864 0.88 ALDH1A1 (0.58) ALDH1A1LMNAMAPTSIRT6MEN1
SCHEMBL517794 0.87 ALDH1A1 (0.55) ALDH1A1LMNAMAPTSIRT6PLK1
SCHEMBL375616 0.87 SIRT6 (0.77) ALDH1A1LMNAMAPTSIRT6MEN1
SCHEMBL520231 0.87 ALDH1A1 (0.76) ALDH1A1LMNAMAPTSIRT6MEN1
SCHEMBL311491 0.85 ALDH1A1 (0.74) ALDH1A1LMNAMAPTSIRT6MEN1
SCHEMBL311063 0.84 ALDH1A1 (0.65) ALDH1A1LMNAMAPTSIRT6MEN1
SCHEMBL3722026 0.84 ALDH1A1 (0.65) ALDH1A1LMNAMAPTSIRT6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-8263590-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2012-09-11 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-20110201606-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-08-18 US disclosed
US-7964592-B2 2,4-di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2011-06-21 US disclosed
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-04-28 US disclosed
US-7893074-B2 inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide NOVARTIS AG (CH) 2011-02-22 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
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-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 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 (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-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD ALDH1A1 587/4885LMNA 3426/4885MAPT 2197/4885
US-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885LMNA 2828/4885MAPT 2367/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885LMNA 2828/4885MAPT 2367/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ALDH1A1 647/4885LMNA 3066/4885MAPT 2178/4885
US-20110201606-A1 PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS ALDH1A1 955/4885LMNA 3279/4885MAPT 2574/4885

“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.