Sugi Predict

Sugi Predict / Compounds / SCHEMBL520231

SCHEMBL520231

SCHEMBL520231

COc1cc(N2CCC(N3CCCC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.76
▸ LMNA P02545 3/20 0.76
▸ SIRT6 Q8N6T7 1/20 0.65
▸ MAPT P10636 9/20 0.65
▸ PLK1 P53350 3/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ L3MBTL3 Q96JM7 1/20 0.50
▸ CYP1A2 P05177 3/20 0.49
▸ CYP2C19 P33261 3/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ HTR6 P50406 1/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL311491 0.99 ALDH1A1 (0.74) ALDH1A1LMNASIRT6MAPTPLK1
SCHEMBL3722026 0.91 ALDH1A1 (0.65) ALDH1A1LMNASIRT6MAPTPLK1
SCHEMBL375616 0.91 SIRT6 (0.77) ALDH1A1LMNASIRT6MAPTPLK1
SCHEMBL311063 0.91 ALDH1A1 (0.65) ALDH1A1LMNASIRT6MAPTPLK1
SCHEMBL26043874 0.90 ALDH1A1 (0.72) ALDH1A1LMNASIRT6MAPTL3MBTL1
SCHEMBL519970 0.90 ALDH1A1 (0.64) ALDH1A1LMNASIRT6MAPTHPGD
SCHEMBL310079 0.90 ALDH1A1 (0.64) ALDH1A1LMNASIRT6MAPTPLK1
SCHEMBL2062143 0.88 SIRT6 (0.77) ALDH1A1LMNASIRT6MAPTPLK1
SCHEMBL3704731 0.88 LMNA (0.62) ALDH1A1LMNASIRT6MAPTPLK1
SCHEMBL23534178 0.88 SIRT6 (0.65) ALDH1A1LMNASIRT6MAPTPLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 — — EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 — — US disclosed
US-8263590-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2012-09-11 — — US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 — — WO disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 — — US 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
US-7371753-B2 Dihydropteridinones, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 — — US disclosed
EP-1784406-A1 DIHYDROPTERIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DRUGS Boehringer Ingelheim International GmbH (DE) 2007-05-16 — — EP disclosed
US-20060046990-A1 New dihydropteridinones, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 — — US disclosed
WO-2006021548-A1 DIHYDROPTERIDINONES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 — — 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-20060046990-A1 New dihydropteridinones, processes for preparing them and their use as pharmaceutical compositions QDPR, DHPS, CCND2 ALDH1A1 814/4885LMNA 1503/4885SIRT6 474/4885
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-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-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.