SCHEMBL4718908

SCHEMBL4718908

CC(C)(C)OC(=O)N1CCC(CNc2ccncc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
GPR119 Q8TDV5 8/20 0.47
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
SYK P43405 1/20 0.45
BRD4 O60885 1/20 0.44
NAMPT P43490 2/20 0.44
KDM1A O60341 1/20 0.44
BCDIN3D Q7Z5W3 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
GRIN2B Q13224 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL13834484 0.94 IDO1 (0.52) KDM4EPKMGPR119IDO1TDO2
SCHEMBL2009590 0.94 IDO1 (0.52) KDM4EPKMGPR119IDO1TDO2
SCHEMBL27178347 0.86 KDM4E (0.57) KDM4EPKMGPR119BRD4KDM1A
SCHEMBL2250932 0.85 MEN1 (0.58) GPR119NAMPTALDH1A1LMNAMAPT
SCHEMBL6151819 0.84 KDM4E (0.52) KDM4EPKMGPR119IDO1TDO2
SCHEMBL620258 0.83 IDO1 (0.50) KDM4EPKMGPR119IDO1TDO2
SCHEMBL29492699 0.83 IDO1 (0.46) KDM4EPKMGPR119IDO1TDO2
SCHEMBL3989909 0.83 IDO1 (0.46) KDM4EPKMGPR119IDO1TDO2
SCHEMBL22724881 0.82 BRD3 (0.49) KDM4EPKMGPR119IDO1TDO2
SCHEMBL18741618 0.81 MEN1 (0.53) GPR119BRD4ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490367-B1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
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 disclosed
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-09-08 US disclosed
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 US disclosed
EP-1490367-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-29 EP disclosed
WO-2003080610-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 WO disclosed
EP-0790998-B1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE URIACH & CIA SA J (ES) 2001-01-17 EP disclosed
EP-0738269-B1 PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY URIACH & CIA SA J (ES) 2000-04-26 EP disclosed
WO-1997009329-A1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE J. URIACH & CIA. S.A. (ES) 1997-03-13 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 (2 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-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors NR4A3, XDH, MAPK8 KDM4E 1701/4885PKM 805/4885GPR119 658/4885
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 KDM4E 470/4885PKM 3864/4885GPR119 789/4885

“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.