SCHEMBL7092241

SCHEMBL7092241

OCc1cn(-c2ccc(F)c(Cl)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2B Q13224 3/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
NOTUM Q6P988 5/20 0.41
KCNH2 Q12809 5/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
BRD9 Q9H8M2 2/20 0.37
KAT2B Q92831 2/20 0.36
PIN1 Q13526 1/20 0.36

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
SCHEMBL4423406 0.86 NOTUM (0.55) PDE3BPDE3ANOTUMKCNH2KDM4E
SCHEMBL4435850 0.82 NOTUM (0.46) PDE3BPDE3ANOTUMMAPT
SCHEMBL4422220 0.82 RXRA (0.46) RXRAGRIN1GRIN2BPDE3BPDE3A
SCHEMBL4429999 0.82 RXRA (0.41) RXRAGRIN1GRIN2BPDE3BPDE3A
SCHEMBL4424298 0.81 RXRA (0.48) RXRAGRIN1GRIN2BPDE3BPDE3A
SCHEMBL4434213 0.81 NOTUM (0.51) PDE3BPDE3ANOTUMKCNH2KDM4E
SCHEMBL6784967 0.80 NOTUM (0.46) RXRAGRIN1GRIN2BNOTUM
SCHEMBL23558820 0.80 KAT2B (0.41) RXRAGRIN1GRIN2BNOTUMKCNH2
SCHEMBL23559086 0.80 KAT2B (0.41) RXRAGRIN1GRIN2BNOTUMKCNH2
SCHEMBL4428265 0.79 KCNH2 (0.41) RXRAGRIN1GRIN2BPDE3BPDE3A

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
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
CN-1489580-A Imidazole derivatives - 2004-04-14 CN 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-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 RXRA 2410/4885GRIN1 1/4885GRIN2B 2/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A RXRA 2501/4885GRIN1 2/4885GRIN2B 1/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A RXRA 2501/4885GRIN1 2/4885GRIN2B 1/4885

“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.