SCHEMBL2117818

SCHEMBL2117818

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.55
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
ALB P02768 1/20 0.47
KMT2A Q03164 1/20 0.47
PGR P06401 1/20 0.46
CHRM1 P11229 3/20 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
SCHEMBL2119671 0.90 CCKBR (0.57) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL2117932 0.89 CCKBR (0.55) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL2119839 0.86 CCKBR (0.56) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL2121128 0.84 CCKBR (0.49) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL2265093 0.84 CCKBR (0.61) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL11964637 0.84 CCKBR (0.61) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL2117946 0.84 CCKBR (0.51) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL2117626 0.84 CCKBR (0.51) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL2118523 0.83 CCKBR (0.62) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL2796264 0.83 TAAR1 (0.38) CCKBRLMNAMEN1ALBKMT2A

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 714/4885LMNA 2242/4885MEN1 847/4885

“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.