SCHEMBL6865686

SCHEMBL6865686

CC(C)c1ncc2c(n1)-c1cc(F)ccc1NC(=O)C2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 10/20 0.47
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
KDR P35968 13/20 0.42
GRIA1 P42261 2/20 0.41
INSR P06213 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL6864750 0.87 KDR (0.50) PLK1KDRINSR
SCHEMBL6866790 0.86 KDR (0.52) PLK1KDRINSR
SCHEMBL6865730 0.84 PLK1 (0.49) PLK1GABRG2GABRB3GABRA5KDR
SCHEMBL6864953 0.83 KDR (0.60) PLK1KDRINSR
SCHEMBL6871274 0.82 PLK1 (0.48) PLK1KDRINSRMAOB
SCHEMBL6872432 0.80 GABRG2 (0.50) PLK1GABRG2GABRB3GABRA5KDR
SCHEMBL6876249 0.79 GABRG2 (0.46) PLK1GABRG2GABRB3GABRA5KDR
SCHEMBL6870398 0.74 PLK1 (0.49) PLK1GABRG2GABRB3GABRA5KDR
SCHEMBL1183726 0.72 PLK1 (0.70) PLK1KDRINSR
SCHEMBL6864911 0.72 KDR (0.54) PLK1KDRINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399448-B1 IMIDAZO 1,5-A] PYRIMIDO 5,4-D] BENZAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2004-12-01 EP disclosed
EP-1399448-A1 IMIDAZO 1,5-A] PYRIMIDO 5,4-D] BENZAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-03-24 EP disclosed
US-6686352-B2 USEFUL AS COGNITIVE ENHANCER OR FOR THERAPY OF COGNITIVE DISORDERS LIKE ALZHEIMER'S DISEASE HOFFMANN-LA ROCHE INC. 2004-02-03 US disclosed
US-20030055042-A1 Substituted imidazo [1,5-a] pyrimido [5,4-d] [1] benzazepine derivatives F. HOFFMANN-LA ROCHE AG A SWISS COMPANY (CH) 2003-03-20 US disclosed
WO-2002094834-A1 IMIDAZO [1,5-A] PYRIMIDO [5,4-D] BENZAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-11-28 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-20030055042-A1 Substituted imidazo [1,5-a] pyrimido [5,4-d] [1] benzazepine derivatives GALR1, GALR2, ADRA1A PLK1 4198/4885GABRG2 287/4885GABRB3 226/4885

“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.