SCHEMBL519970

SCHEMBL519970

COc1cc(N2CCC(N3CCOCC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
LMNA P02545 4/20 0.64
SIRT6 Q8N6T7 1/20 0.61
MAPT P10636 13/20 0.61
PKM P14618 2/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPK1 P28482 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP2C9 P11712 1/20 0.46
HTT P42858 1/20 0.46
HTR6 P50406 1/20 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
SCHEMBL520872 0.92 SIRT6 (0.66) ALDH1A1LMNASIRT6MAPTPKM
SCHEMBL12312165 0.91 ALDH1A1 (0.57) ALDH1A1LMNASIRT6MAPTPKM
SCHEMBL310285 0.91 ALDH1A1 (0.56) ALDH1A1LMNASIRT6MAPTPKM
SCHEMBL520231 0.90 ALDH1A1 (0.76) ALDH1A1LMNASIRT6MAPTMEN1
SCHEMBL311491 0.88 ALDH1A1 (0.74) ALDH1A1LMNASIRT6MAPTMEN1
SCHEMBL1230074 0.88 ALDH1A1 (0.77) ALDH1A1LMNASIRT6MAPTPKM
SCHEMBL311063 0.87 ALDH1A1 (0.65) ALDH1A1LMNASIRT6MAPTMEN1
SCHEMBL3722026 0.87 ALDH1A1 (0.65) ALDH1A1LMNASIRT6MAPTMEN1
SCHEMBL375616 0.87 SIRT6 (0.77) ALDH1A1LMNASIRT6MAPTMEN1
SCHEMBL521146 0.87 ALDH1A1 (0.62) ALDH1A1LMNASIRT6MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110799190-B Heterocyclic compounds 卡都瑞恩医药有限公司 2024-04-19 CN disclosed
US-11897877-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-02-13 US disclosed
US-20220402912-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2022-12-22 US disclosed
US-20220402912-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2022-12-22 US disclosed
CN-115260234-A 2-amino-4-amino aryl phospho-oxypyrimidine compound and preparation method and application thereof 江苏医药职业学院 2022-11-01 CN disclosed
CN-108137544-B Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2022-01-04 CN disclosed
US-11197858-B2 Substituted amines for treating cardiac diseases CARDURION PHARMACEUTICALS, LLC (US) 2021-12-14 US disclosed
US-11046688-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-29 US disclosed
US-11046688-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-29 US disclosed
US-20200230137-A1 SUBSTITUTED AMINES FOR TREATING CARDIAC DISEASES CARDURION PHARMACEUTICALS, LLC (US) 2020-07-23 US disclosed
US-8263590-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2012-09-11 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-1660458-B1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2012-01-25 EP disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP 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
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO 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 (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-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD ALDH1A1 587/4885LMNA 3426/4885SIRT6 2287/4885
US-20220402912-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 ALDH1A1 3742/4885LMNA 1306/4885SIRT6 3640/4885
US-11046688-B2 Inhibitor compounds BUB1B, BUB1, CDK1 ALDH1A1 3742/4885LMNA 1306/4885SIRT6 3640/4885
US-11197858-B2 Substituted amines for treating cardiac diseases TNNI3, CALM1, CAMK2G ALDH1A1 809/4885LMNA 2705/4885SIRT6 2509/4885
US-11897877-B2 Inhibitor compounds BUB1B, BUB1, CDK1 ALDH1A1 3742/4885LMNA 1306/4885SIRT6 3640/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ALDH1A1 647/4885LMNA 3066/4885SIRT6 2197/4885
US-20110201606-A1 PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS ALDH1A1 955/4885LMNA 3279/4885SIRT6 1049/4885
US-20200230137-A1 SUBSTITUTED AMINES FOR TREATING CARDIAC DISEASES TNNI3, CALM1, CAMK2G ALDH1A1 809/4885LMNA 2705/4885SIRT6 2509/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 ALDH1A1 779/4885LMNA 3783/4885SIRT6 3364/4885

“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.