SCHEMBL6866574

SCHEMBL6866574

O=C1Cc2cnc(Cc3c[nH]c4ccccc34)nc2-c2cc(F)ccc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 10/20 0.46
AKT1 P31749 5/20 0.44
CDK1 P06493 2/20 0.44
GSK3B P49841 2/20 0.44
CDK5 Q00535 2/20 0.44
PDPK1 O15530 1/20 0.44
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
RPS6KA5 O75582 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PRKCG P05129 1/20 0.44
PIM1 P11309 1/20 0.44
PHKG2 P15735 1/20 0.44
PRKACA P17612 1/20 0.44
CDK2 P24941 1/20 0.44
MARK3 P27448 1/20 0.44
MAPK1 P28482 1/20 0.44
AXL P30530 1/20 0.44
AKT2 P31751 1/20 0.44

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
SCHEMBL6874722 0.89 PAK4 (0.48) GPR84AKT1CDK1GSK3BCDK5
SCHEMBL6873022 0.89 KDR (0.50) GPR84AKT1CDK1GSK3BCDK5
SCHEMBL6871919 0.86 GPR84 (0.42) GPR84AKT1CDK1GSK3BCDK5
SCHEMBL6872432 0.76 GABRG2 (0.50) KDRPLK1
SCHEMBL6870398 0.75 PLK1 (0.49) KDRPLK1
SCHEMBL6865730 0.72 PLK1 (0.49) KDRPLK1
SCHEMBL6871696 0.72 GABRG2 (0.71)
SCHEMBL6871274 0.71 PLK1 (0.48) KDRPLK1
SCHEMBL6865686 0.70 PLK1 (0.47) KDRPLK1
SCHEMBL6876249 0.70 GABRG2 (0.46) GSK3BCDK5GSK3AKDRPLK1

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 GPR84 45/4885AKT1 2926/4885CDK1 3196/4885

“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.