SCHEMBL4433469

SCHEMBL4433469

CCOC(=O)c1cn(-c2ccc3ccccc3n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NOTUM Q6P988 1/20 0.51
PDE10A Q9Y233 1/20 0.46
KDM4E B2RXH2 4/20 0.45
CYP1A2 P05177 1/20 0.44
PRNP P04156 1/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
CPB2 Q96IY4 1/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4425406 0.81 NOTUM (0.54) MEN1KMT2ANOTUMKDM4ECYP1A2
SCHEMBL9374373 0.80 NOTUM (0.55) MEN1KMT2ANOTUMKDM4ECYP1A2
SCHEMBL4422155 0.79 NOTUM (0.58) MEN1KMT2ANOTUMKDM4ECYP1A2
SCHEMBL2229747 0.78 NOTUM (0.66) MEN1KMT2ANOTUMCYP1A2GABRA2
SCHEMBL30253505 0.77 KDM4E (0.64) MEN1KMT2AKDM4ECYP1A2PRNP
SCHEMBL431290 0.77 KDM4E (0.64) MEN1KMT2AKDM4ECYP1A2PRNP
SCHEMBL9375434 0.76 NOTUM (0.49) MEN1KMT2ANOTUMKDM4ECYP1A2
SCHEMBL9368784 0.76 MAPT (0.50) MEN1KMT2ANOTUMKDM4ECYP1A2
SCHEMBL27592203 0.75 NOTUM (0.53) MEN1KMT2ANOTUMKDM4ECYP1A2
SCHEMBL4425477 0.75 NOTUM (0.59) MEN1KMT2ANOTUMKDM4ECYP1A2

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-1358165-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-03-11 EP 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 (3 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 MEN1 4125/4885KMT2A 377/4885NOTUM 4364/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A MEN1 3584/4885KMT2A 428/4885NOTUM 4107/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A MEN1 3584/4885KMT2A 428/4885NOTUM 4107/4885

“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.