SCHEMBL2117946

SCHEMBL2117946

CC(=O)Nc1ccc(C2=NC(Cc3ccccc3Cl)C(=O)Nc3ccc(Cl)cc32)cn1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.51
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
ALB P02768 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2117932 0.86 CCKBR (0.55) CCKBRMEN1LMNAALBKMT2A
SCHEMBL2117608 0.84 CCKBR (0.49) CCKBR
SCHEMBL2121674 0.84 CCKBR (0.49) CCKBR
SCHEMBL2117818 0.84 CCKBR (0.55) CCKBRMEN1LMNAALBKMT2A
SCHEMBL10224931 0.83 CCKBR (0.47) CCKBR
SCHEMBL2605671 0.83 CCKBR (0.47) CCKBR
SCHEMBL2267811 0.83 CCKBR (0.54) CCKBRMEN1LMNAALBKMT2A
SCHEMBL2119671 0.82 CCKBR (0.57) CCKBRMEN1LMNAALBKMT2A
SCHEMBL2265093 0.82 CCKBR (0.61) CCKBRMEN1LMNAALBKMT2A
SCHEMBL11964637 0.82 CCKBR (0.61) CCKBRMEN1LMNAALBKMT2A

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
US-8604023-B2 1,4-benzodiazepinone compounds and their use in treating cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-12-10 US disclosed
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 US disclosed
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 US disclosed
WO-2010121164-A2 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-10-21 WO disclosed
WO-2010121164-A2 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-10-21 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-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER HTR4, HTR1A, HTR3B CCKBR 714/4885MEN1 847/4885LMNA 2242/4885

“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.