SCHEMBL1687452

SCHEMBL1687452

CCc1ccc(-c2cncc3ccccc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.63
CYP11B1 P15538 8/20 0.52
CYP11B2 P19099 8/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2B6 P20813 1/20 0.52
CYP2C19 P33261 1/20 0.52
CCNC P24863 6/20 0.47
CDK8 P49336 6/20 0.47
FLT3 P36888 1/20 0.47
MYLK Q15746 1/20 0.47
AURKB Q96GD4 1/20 0.47
CILK1 Q9UPZ9 1/20 0.47
CDK11A Q9UQ88 1/20 0.47
ROCK2 O75116 1/20 0.44
NAMPT P43490 1/20 0.44
CYP17A1 P05093 1/20 0.44
PRMT5 O14744 1/20 0.43

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
SCHEMBL2773031 0.85 PRKCZ (0.65) PRKCZCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL28212097 0.83 PRKCZ (0.58) PRKCZCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL12386960 0.81 PRKCZ (0.69) PRKCZCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL12074301 0.80 PRKCZ (0.73) PRKCZCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL6243938 0.80 PRKCZ (0.72) PRKCZCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL29501875 0.80 PRKCZ (0.72) PRKCZCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL23555363 0.79 PRKCZ (0.67) PRKCZCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL10600163 0.79 CHRNB4 (0.50) CYP1A2CYP2C9CYP2C19
SCHEMBL10806364 0.78 PRKCZ (0.69) PRKCZCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL12074902 0.77 PRKCZ (0.69) PRKCZCYP11B1CYP11B2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-12 US disclosed
US-8088759-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-01-03 US disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 US 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 (2 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-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties BAD, GABRA5, GABRB1 PRKCZ 1323/4885CYP11B1 73/4885CYP11B2 71/4885
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 PRKCZ 1323/4885CYP11B1 73/4885CYP11B2 71/4885

“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.