SCHEMBL4432934

SCHEMBL4432934

c1ccc2nc(-n3cnc(Cn4ccnc4)c3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.46
PDE10A Q9Y233 1/20 0.43
POLB P06746 2/20 0.43
CYP11B1 P15538 11/20 0.42
CYP11B2 P19099 10/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
TBXAS1 P24557 1/20 0.42
QPCT Q16769 1/20 0.42
CYP4Z1 Q86W10 1/20 0.42
QPCTL Q9NXS2 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CYP17A1 P05093 1/20 0.39

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
SCHEMBL11007511 0.80 CYP19A1 (0.56) CYP19A1POLBCYP11B1CYP11B2CYP1A2
SCHEMBL4427091 0.78 PDE10A (0.42) PDE10AMAPTNPC1RAB9A
SCHEMBL4428136 0.77 PDE10A (0.61) PDE10ACYP1A2CYP3A4MAPTNPC1
SCHEMBL4422196 0.76 PDE10A (0.41) PDE10ACYP1A2NPC1RAB9A
SCHEMBL26666217 0.75 NPC1 (0.59) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL28509060 0.70 CYP11B1 (0.57) CYP19A1PDE10APOLBCYP11B1CYP11B2
SCHEMBL31061448 0.69 CYP19A1 (0.49) CYP19A1PDE10ACYP11B1CYP11B2TBXAS1
Benzylimidazole SCHEMBL28213650 0.68 CYP11B1 (0.71) CYP19A1POLBCYP11B1CYP11B2CYP1A2
Hydrochloric Acid SCHEMBL4433511 0.68 IDO1 (0.56) CYP19A1POLBCYP11B1CYP11B2CYP1A2
Hydrochloric Acid SCHEMBL7161630 0.68 IDO1 (0.56) CYP19A1POLBCYP11B1CYP11B2CYP1A2

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 CYP19A1 4831/4885PDE10A 2202/4885POLB 3234/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A CYP19A1 4804/4885PDE10A 1675/4885POLB 3015/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A CYP19A1 4804/4885PDE10A 1675/4885POLB 3015/4885

“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.