SCHEMBL1885458

SCHEMBL1885458

O=C(O)c1cn(-c2cccc(Br)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALKBH5 Q6P6C2 1/20 0.47
MLLT3 P42568 1/20 0.44
MLLT1 Q03111 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RPA1 P27694 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
SCHEMBL2497315 0.86 SMN1; SMN2 (0.50) ALKBH5MLLT3MLLT1ALDH1A1SMN1; SMN2
SCHEMBL30504030 0.83 KDM4E (0.51) KDM4EMLLT3MLLT1
SCHEMBL9672296 0.83 MLLT3 (0.61) KDM4EMLLT3MLLT1
SCHEMBL5509095 0.83 KDM4E (0.51) KDM4EMLLT3MLLT1
SCHEMBL2498082 0.83 MLLT3 (0.44) KDM4EALKBH5MLLT3MLLT1SMN1; SMN2
SCHEMBL12191229 0.83 NOTUM (0.43) KDM4EALKBH5MLLT3MLLT1ALDH1A1
SCHEMBL69486 0.82 KDM4E (0.55) KDM4E
SCHEMBL4425145 0.82 KDM4E (0.50) KDM4EMLLT3MLLT1
SCHEMBL12191233 0.82 KDM4E (0.57) KDM4EALKBH5RPA1
SCHEMBL1879655 0.82 KDM4E (0.50) KDM4EMLLT3MLLT1RPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101798298-B Imidazole derivatives HOFFMANN LA ROCHE 2013-01-09 CN disclosed
US-7939556-B2 Imidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-05-10 US disclosed
US-7858649-B2 Imidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2010-12-28 US disclosed
US-7858649-B2 Imidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2010-12-28 US disclosed
US-7858649-B2 Imidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2010-12-28 US disclosed
CN-101798298-A Imdazole derivatives HOFFMANN LA ROCHE 2010-08-11 CN disclosed
CN-1489580-B Imidazole derivatives HOFFMANN LA ROCHE 2010-05-26 CN disclosed
US-20090209597-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA ALPHA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2009-08-20 US disclosed
US-20090163566-A1 Imidazole Derivatives and their use for Modulating the Gabaa Receptor Complex NEUROSEARCH A/S (DE) 2009-06-25 US disclosed
US-20090163566-A1 Imidazole Derivatives and their use for Modulating the Gabaa Receptor Complex NEUROSEARCH A/S (DE) 2009-06-25 US disclosed
WO-2007042544-A2 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2007-04-19 WO disclosed
CN-1489580-A Imidazole derivatives - 2004-04-14 CN disclosed
US-6683097-B2 AFFINITY TO NMDA (N-METHYL-D-ASPARTATE)-RECEPTOR SUBTYPE SELECTIVE BLOCKERS; MEDIATING PROCESSES UNDERLYING DEVELOPMENT OF CENTRAL NERVOUS SYSTEM AS WELL AS LEARNING AND MEMORY FORMATION HOFFMANN-LA ROCHE INC. 2004-01-27 US disclosed
US-6667335-B2 NMDA (N-methyl-D-aspartate)-receptor subtype selective blockers HOFFMANN-LA ROCHE INC. 2003-12-23 US disclosed
EP-1358165-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20030191311-A1 A 5-(imidazol-1-yl-methyl)-pyridine derivatives for treating an NMDA-receptor-mediated disease, neurodegeneration disorder caused by stroke or brain trauma, Alzheimer's disease, Parkinson's disease, Huntington's disease EVOTEC INTERNATIONAL GMBH (DE) 2003-10-09 US disclosed
US-20030187268-A1 Imidazole derivatives EVOTEC INTERNATIONAL GMBH (DE) 2003-10-02 US disclosed
US-6610723-B2 Such as 3-(3,4-dimethyl-phenyl)-5-(2-methyl-imidazol-1-yl-methyl)-pyridine having affinity to N-methyl-D-aspartate-receptor subtype selective blockers; central nervous system; learning, memory, neurodegeneration HOFFMANN-LA ROCHE INC. 2003-08-26 US disclosed
US-20020151715-A1 Imidazole derivatives EVOTEC INTERNATIONAL GMBH (DE) 2002-10-17 US disclosed
WO-2002060877-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 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-20030191311-A1 A 5-(imidazol-1-yl-methyl)-pyridine derivatives for treating an NMDA-receptor-mediated disease, neurodegeneration disorder caused by stroke or brain trauma, Alzheimer's disease, Parkinson's disease, Huntington's disease GRIN1, GRIN2B, GRIN3B KDM4E 1141/4885ALKBH5 3440/4885MLLT3 3634/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A KDM4E 1192/4885ALKBH5 3588/4885MLLT3 3543/4885
US-20090209597-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA ALPHA RECEPTOR COMPLEX GABRB1, GABRB2, GABRB3 KDM4E 2635/4885ALKBH5 4764/4885MLLT3 3838/4885
US-20090163566-A1 Imidazole Derivatives and their use for Modulating the Gabaa Receptor Complex GABRB2, GABRB1, GABRB3 KDM4E 3121/4885ALKBH5 4744/4885MLLT3 3398/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A KDM4E 1192/4885ALKBH5 3588/4885MLLT3 3543/4885

“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.