SCHEMBL4432563

SCHEMBL4432563

Cc1ccc(-n2cnc(CO)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.51
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
COMT P21964 1/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CPB2 Q96IY4 4/20 0.37
CPB1 P15086 3/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PTGS2 P35354 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL11050130 0.82 PDE3B (0.41) NOTUMPDE3BPDE3ACOMTCPB2
SCHEMBL2173293 0.82 PDE3B (0.50) NOTUMPDE3BPDE3ACYP1A2CYP3A4
SCHEMBL3426575 0.82 PDE3B (0.50) NOTUMPDE3BPDE3ACYP1A2CYP3A4
SCHEMBL4434213 0.82 NOTUM (0.51) NOTUMPDE3BPDE3ACPB2CPB1
SCHEMBL1698763 0.82 PDE3B (0.50) NOTUMPDE3BPDE3ACYP1A2CYP3A4
SCHEMBL4428918 0.82 PDE3B (0.53) NOTUMPDE3BPDE3ACYP1A2CYP3A4
SCHEMBL4433834 0.81 CPB2 (0.50) NOTUMPDE3BPDE3ACYP3A4COMT
SCHEMBL23481302 0.81 PDE3B (0.44) NOTUMPDE3BPDE3ACYP1A2CYP3A4
SCHEMBL4427473 0.81 PDE3B (0.47) NOTUMPDE3BPDE3ACYP1A2CYP3A4
SCHEMBL4427890 0.81 NOTUM (0.55) NOTUMPDE3BPDE3ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024829-B1 4-BENZYL- AND 4-BENZOYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Farmos-Yhtyma Oy (FI) 1984-04-25 EP claimed
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US claimed
EP-0024829-A1 4-Benzyl- and 4-benzoylimidazole derivatives, processes for their preparation and pharmaceutical compositions comprising the same Farmos-Yhtyma Oy (FI) 1981-03-11 EP claimed
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
EP-0024829-B1 4-BENZYL- AND 4-BENZOYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Farmos-Yhtyma Oy (FI) 1984-04-25 EP disclosed
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US disclosed
EP-0024829-A1 4-Benzyl- and 4-benzoylimidazole derivatives, processes for their preparation and pharmaceutical compositions comprising the same Farmos-Yhtyma Oy (FI) 1981-03-11 EP 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 NOTUM 4364/4885PDE3B 2740/4885PDE3A 2511/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A NOTUM 4107/4885PDE3B 1701/4885PDE3A 1485/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A NOTUM 4107/4885PDE3B 1701/4885PDE3A 1485/4885

“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.