SCHEMBL4361069

SCHEMBL4361069

Brc1ccc2c(c1)C=CC=NN2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.32
METAP2 P50579 2/20 0.32
CSNK2A1 P68400 1/20 0.32
DYRK1A Q13627 1/20 0.32
PDPK1 O15530 2/20 0.31
JAK2 O60674 2/20 0.31
TGM2 P21980 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL10620819 0.79 DYRK1A (0.35) DYRK1A
SCHEMBL3851653 0.78 KDM4E (0.34)
Hydrochloric Acid SCHEMBL8523808 0.78 DYRK1A (0.34) DYRK1A
SCHEMBL9048951 0.78 DYRK1A (0.34) NOS1DYRK1ATGM2CES1
Benzodiazepine SCHEMBL7160172 0.72 GAA (0.44)
Benzodiazepine SCHEMBL8137 0.72 GAA (0.44)
Benzodiazepine SCHEMBL936208 0.71 GAA (0.43)
Benzodiazepine SCHEMBL11484022 0.71 GAA (0.43)
Benzodiazepine SCHEMBL6618830 0.71 GAA (0.43)
Benzodiazepine SCHEMBL31734455 0.71 GAA (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528127-B2 Short-acting benzodiazepines CENES LIMITED (GB) 2009-05-05 US disclosed
US-7485635-B2 Short-acting benzodiazepines CENES LIMITED (GB) 2009-02-03 US disclosed
US-7473689-B2 Short-acting benzodiazepines CENES LIMITED (GB) 2009-01-06 US disclosed
US-7435730-B2 Short-acting benzodiazepines CENES LIMITED (GB) 2008-10-14 US disclosed
US-20070135420-A1 e.g. Methyl 3-[(4S)-8-bromo-1-methyl-6-(2-pyridinyl)-4H-pyrro[1,2-a][1,4]benzodiazepin-4-yl]propanoate; GABAA (gamma aminobutiric acid) receptor antagonist; sedative-hypnotic, anxiolytic, muscle relaxant and anticonvulsant; anesthesia CENES LIMITED (GB) 2007-06-14 US disclosed
US-20070135419-A1 Short-acting benzodiazepines CENES LIMITED (GB) 2007-06-14 US disclosed
US-20070135421-A1 Short-acting benzodiazepines CENES LIMITED (GB) 2007-06-14 US disclosed
US-20070093475-A1 Short-acting benzodiazepines CENES LIMITED (GB) 2007-04-26 US disclosed
US-7160880-B1 Short-acting benzodiazepines CENES LIMITED (GB) 2007-01-09 US disclosed
EP-1183243-B1 SHORT-ACTING BENZODIAZEPINES CENES LTD (GB) 2006-02-08 EP disclosed
EP-1183243-A1 SHORT-ACTING BENZODIAZEPINES GLAXO GROUP LIMITED (GB) 2002-03-06 EP disclosed
WO-2000069836-A1 SHORT-ACTING BENZODIAZEPINES GLAXO GROUP LIMITED (GB) 2000-11-23 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 (4 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-20070093475-A1 Short-acting benzodiazepines GABRA5, GABRA1, GABRA6 NOS1 2759/4885METAP2 4476/4885CSNK2A1 730/4885
US-20070135420-A1 e.g. Methyl 3-[(4S)-8-bromo-1-methyl-6-(2-pyridinyl)-4H-pyrro[1,2-a][1,4]benzodiazepin-4-yl]propanoate; GABAA (gamma aminobutiric acid) receptor antagonist; sedative-hypnotic, anxiolytic, muscle relaxant and anticonvulsant; anesthesia GABRA1, GABRA2, GABRA6 NOS1 2933/4885METAP2 655/4885CSNK2A1 2372/4885
US-20070135419-A1 Short-acting benzodiazepines GABRA5, GABRA1, GABRA6 NOS1 2759/4885METAP2 4476/4885CSNK2A1 730/4885
US-20070135421-A1 Short-acting benzodiazepines GABRA5, GABRA1, GABRA6 NOS1 2759/4885METAP2 4476/4885CSNK2A1 730/4885

“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.