SCHEMBL1385342

SCHEMBL1385342

[CH2]NCCCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
DUSP3 P51452 1/20 0.58
KEAP1 Q14145 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 3/20 0.51
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 3/20 0.47
PAOX Q6QHF9 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
EPHX1 P07099 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 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
SCHEMBL677127 0.86 CA12 (0.50) HPGDDUSP3KEAP1SMN1; SMN2GAA
SCHEMBL721355 0.82 PAOX (0.64) HPGDDUSP3KEAP1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL2488967 0.80 PAOX (0.62) HPGDDUSP3KEAP1SMN1; SMN2GAA
SCHEMBL3419389 0.79
SCHEMBL1487939 0.79 HRH3 (0.52) SMN1; SMN2LMNAMAPK1L3MBTL1MAPT
SCHEMBL3587082 0.78 KEAP1 (0.59) HPGDDUSP3KEAP1SMN1; SMN2GAA
SCHEMBL12428257 0.78 HPGD (0.58) HPGDDUSP3KEAP1SMN1; SMN2GAA
SCHEMBL6892232 0.78 HPGD (0.58) HPGDDUSP3KEAP1SMN1; SMN2GAA
SCHEMBL46511 0.78 HPGD (0.58) HPGDDUSP3KEAP1SMN1; SMN2GAA
SCHEMBL1998867 0.78 KEAP1 (0.71) HPGDDUSP3KEAP1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4838121-B2 2011-12-14 JP claimed
EP-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP claimed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
EP-2298743-A1 5-membered heterocycle-based P38 kinase inhibitors Novartis AG (CH) 2011-03-23 EP claimed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO claimed
EP-1490367-B1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-07-23 EP claimed
US-7348339-B2 2-(4-amino-furazan-3-yl)-1-ethyl-N-[(2R)-2-morpholinylmethyl]-1H-imidazo[4,5-c]pyridine-7-carboxamide; Mitogen- and Stress-Activated Protein (MSK) and Rho (guanosine triphosphate) 1 or 2 kinase inhibitor; neurodegenerative diaeases; antiinflammatory, anticarcinogenic, antiviral and antibacterial agent GLAXO GROUP LIMITED (GB) 2008-03-25 US claimed
JP-2007521278-A 2007-08-02 JP claimed
US-7060700-B2 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2006-06-13 US claimed
EP-1641764-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS Novartis AG (CH) 2006-04-05 EP claimed
EP-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 EP claimed
EP-1102750-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES AstraZeneca AB (SE) 2001-05-30 EP claimed
EP-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 EP claimed
WO-2000055120-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO claimed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO claimed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 WO claimed
WO-2000007991-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES ASTRAZENECA AB (SE) 2000-02-17 WO claimed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 WO claimed
US-5071636-A Polyaminedithiol compounds; nuclear imaging of regional cerebral blood flow NIHON MEDI-PHYSICS CO., LTD. (JP) 1991-12-10 US claimed
EP-0322876-A2 Chelating compounds and their use NIHON MEDI-PHYSICS CO., LTD. (JP) 1989-07-05 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR HPGD 237/4885DUSP3 770/4885KEAP1 2535/4885

“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.