SCHEMBL5896841

SCHEMBL5896841

CCn1c(Cn2ccnc2-c2cccc(F)n2)nc(C)c1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
MAPT P10636 1/20 0.30
ALOX5AP P20292 1/20 0.30
KMT2A Q03164 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL5896427 0.88 BRD4 (0.31) BRD4
SCHEMBL5896460 0.88 BRD4 (0.31) BRD4
SCHEMBL5896578 0.85 MEN1 (0.31) BRD4KMT2A
SCHEMBL5896693 0.85 NPY5R (0.34) MAPTKMT2A
SCHEMBL5896560 0.84 FLT1 (0.34) BRD4
SCHEMBL5897529 0.84 KCNH2 (0.31) KMT2A
SCHEMBL5896961 0.84 FLT1 (0.34) BRD4
SCHEMBL5897492 0.84 KCNH2 (0.31) KMT2A
SCHEMBL5896348 0.84 KCNH2 (0.37) BRD4MAPTKMT2A
SCHEMBL3070588 0.83 TP53 (0.38) MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030144-B2 Substituted imidazole derivatives: GABAA receptor ligands NEUROGEN CORPORATION (US) 2006-04-18 US claimed
EP-1499608-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES: GABA A RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-01-26 EP claimed
US-20040002608-A1 Substituted imidazole derivatives: GABAA receptor ligands NEUROGEN CORPORATION 2004-01-01 US claimed
WO-2003093263-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES: GABAA RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2003-11-13 WO claimed
EP-1499608-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES: GABA A RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-01-26 EP disclosed
WO-2003093263-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES: GABAA RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2003-11-13 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 (1 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-20040002608-A1 Substituted imidazole derivatives: GABAA receptor ligands GABRA1, GABRA3, GABRA2 BRD4 1322/4885MAPT 495/4885ALOX5AP 4606/4885

“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.