SCHEMBL6866798

SCHEMBL6866798

O=C1Cc2cncnc2-c2cc(Br)ccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.50
AHR P35869 1/20 0.50
GABRA5 P31644 4/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
KDR P35968 3/20 0.46
TDP2 O95551 1/20 0.44
GSK3B P49841 3/20 0.44
CDK5 Q00535 3/20 0.44
CDK5R1 Q15078 3/20 0.44
CCNB2 O95067 2/20 0.44
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44
CCNB3 Q8WWL7 2/20 0.44
BCL6 P41182 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GSK3A P49840 1/20 0.42
ADRA1A P35348 1/20 0.42
TGM2 P21980 1/20 0.41

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
SCHEMBL1185539 0.81 KDR (0.56) AHRGABRA5GABRG2GABRB3KDR
SCHEMBL1183753 0.80 KDR (0.52) CMA1AHRKDRTDP2GSK3B
SCHEMBL6871270 0.80 KDR (0.52) CMA1AHRGABRA5GABRG2GABRB3
SCHEMBL6873174 0.77 KDR (0.49) CMA1AHRKDRTDP2GSK3B
SCHEMBL1184846 0.75 KDR (0.50) CMA1AHRKDRKMT2AMEN1
SCHEMBL1184823 0.72 KDR (0.49) CMA1AHRGABRA5KDRGSK3B
SCHEMBL6431 0.71 AHR (0.72) CMA1AHRTDP2GSK3BCDK5
SCHEMBL1185415 0.70 PLK1 (0.70) KDRPLK1
SCHEMBL1183812 0.70 PLK1 (0.70) KDRPLK1
SCHEMBL6875107 0.70 PLK1 (0.49) GABRA5GABRG2GABRB3KDRGSK3B

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 CMA1 529/4885AHR 254/4885GABRA5 41/4885

“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.