SCHEMBL4433926

SCHEMBL4433926

CCc1cccc(-n2cnc(CO)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
NOTUM Q6P988 4/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ESRRA P11474 1/20 0.37
CPB1 P15086 2/20 0.36
CPB2 Q96IY4 2/20 0.36
ALOX5 P09917 1/20 0.35
MAPT P10636 1/20 0.35
CFTR P13569 1/20 0.34

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
SCHEMBL11047728 0.82 PDE3B (0.40) NOTUMPDE3BPDE3ACPB1CPB2
SCHEMBL4434666 0.79 NOTUM (0.46) NOTUMMAPT
SCHEMBL4428915 0.79 NOTUM (0.56) MGLLNOTUMPDE3BPDE3ACPB1
SCHEMBL4424390 0.79 PDE3B (0.43) MGLLNOTUMPDE3BPDE3ACPB1
SCHEMBL4425401 0.79 PDE3B (0.40) MGLLNOTUMPDE3BPDE3ACPB1
SCHEMBL31434554 0.79 NOTUM (0.56) MGLLNOTUMPDE3BPDE3ACPB1
SCHEMBL4426922 0.78 NOTUM (0.43) NOTUMPDE3BPDE3AESRRACPB1
SCHEMBL4425168 0.78 PDE3B (0.38) NOTUMPDE3BPDE3ACPB1CPB2
SCHEMBL4425634 0.78 RXRA (0.44) NOTUMPDE3BPDE3AESRRACPB1
SCHEMBL4433834 0.77 CPB2 (0.50) NOTUMPDE3BPDE3ACPB1CPB2

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 13 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
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 MGLL 4521/4885NOTUM 4364/4885PDE3B 2740/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A MGLL 4536/4885NOTUM 4107/4885PDE3B 1701/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A MGLL 4536/4885NOTUM 4107/4885PDE3B 1701/4885

“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.