SCHEMBL20077656

SCHEMBL20077656

Nc1ccccc1Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.66
MAPK12 P53778 8/20 0.66
MAPK11 Q15759 8/20 0.66
MAPK14 Q16539 8/20 0.66
GAA P10253 2/20 0.65
MAPT P10636 2/20 0.65
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
MAPK1 P28482 1/20 0.54
HDAC2 Q92769 1/20 0.54
CDC25B P30305 1/20 0.54
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
AKR1C3 P42330 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL11754533 0.89 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL27481713 0.87 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL4636974 0.84 CDC25B (0.73) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL10780863 0.84 MAPT (0.49) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL10778603 0.84 MAPT (0.49) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL10777664 0.83 GAA (0.51) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL10370948 0.81 MAPT (0.53) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL5357396 0.80 FABP4 (0.65) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL8442758 0.80 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL4538101 0.80 KMT2A (0.61) MAPK13MAPK12MAPK11MAPK14GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208001-B2 Process for preparing 1,4-dibenzodiazepines via Buchwald-Hartwig chemistry UNIVERSIDADE DE EVORA (PT) 2019-02-19 US disclosed
US-20180105502-A1 PROCESS FOR PREPARING 1,4-DIBENZODIAZEPINES VIA BUCHWALD-HARTWIG CHEMISTRY UNIVERSIDADE DE EVORA (PT) 2018-04-19 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-10208001-B2 Process for preparing 1,4-dibenzodiazepines via Buchwald-Hartwig chemistry HRH2, HRH4, HRH1 MAPK13 1955/4885MAPK12 684/4885MAPK11 1563/4885
US-20180105502-A1 PROCESS FOR PREPARING 1,4-DIBENZODIAZEPINES VIA BUCHWALD-HARTWIG CHEMISTRY HRH2, HRH4, HRH1 MAPK13 1955/4885MAPK12 684/4885MAPK11 1563/4885

“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.