SCHEMBL4425922

SCHEMBL4425922

CCc1nccn1Cc1cn(-c2cccc3cccnc23)cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.41
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HTR2B P41595 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4425262 0.86 KDM4E (0.40) KCNH2KDM4EMAPTNPSR1HTR2A
SCHEMBL4429968 0.79 NCOA3 (0.48) KCNH2KDM4EMAPTALDH1A1GAA
SCHEMBL4422196 0.76 PDE10A (0.41) KCNH2KDM4EALDH1A1
SCHEMBL4422312 0.74 KDM4E (0.45) KDM4EMAPTNPSR1HTR2AHTR2C
SCHEMBL4435635 0.74 CYP11B1 (0.48) KCNH2PIK3CAPIK3CG
SCHEMBL4423160 0.74 KCNH2 (0.48) KCNH2
SCHEMBL4423505 0.71 KCNH2 (0.51) KCNH2
SCHEMBL4427072 0.71 KCNH2 (0.53) KCNH2
SCHEMBL4425220 0.69 KCNH2 (0.69) KCNH2
SCHEMBL4433933 0.68 KCNH2 (0.70) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101798298-B Imidazole derivatives HOFFMANN LA ROCHE 2013-01-09 CN 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
EP-1358165-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-03-11 EP 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
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

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 KCNH2 592/4885KDM4E 1141/4885MAPT 101/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A KCNH2 352/4885KDM4E 1192/4885MAPT 448/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A KCNH2 352/4885KDM4E 1192/4885MAPT 448/4885

“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.