SCHEMBL1773735

SCHEMBL1773735

CSc1ncc(C(=O)O)c(Nc2ccc(Cl)cc2N)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 3/20 0.44
AHR P35869 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SYK P43405 2/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1774779 0.87 MAPT (0.45) LMNARXFP1MAPTMEN1KMT2A
SCHEMBL1775201 0.86 MEN1 (0.42) LMNARXFP1MAPTMEN1KMT2A
SCHEMBL1773901 0.85 MAPT (0.62) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL27745413 0.84 MAPT (0.43) LMNARXFP1MAPTALDH1A1SMN1; SMN2
SCHEMBL1773447 0.84 MEN1 (0.52) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL4701575 0.84 MAPT (0.42) LMNARXFP1MAPTAHRMEN1
SCHEMBL2174057 0.83 MAPT (0.53) LMNARXFP1MAPTMEN1KMT2A
SCHEMBL1773844 0.83 LMNA (0.49) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL1773691 0.82 MAPT (0.44) LMNARXFP1MAPTAHRMEN1
SCHEMBL1773998 0.81 MAPT (0.45) LMNARXFP1MAPTAHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966212-B1 DIAZEPINONES MERCK PATENT GMBH (DE) 2015-05-13 EP disclosed
US-7943608-B2 Diazepinoes MERCK PATENT GMBH (DE) 2011-05-17 US disclosed
CN-101341151-A Diazepinones MERCK PATENT GMBH (DE) 2009-01-07 CN disclosed
US-20080318934-A1 Diazepinoes MERCK PATENT GESELLSCHAFT (DE) 2008-12-25 US disclosed
EP-1966212-A1 DIAZEPINONES Merck Patent GmbH (DE) 2008-09-10 EP disclosed
WO-2007079826-A1 DIAZEPINONES MERCK PATENT GMBH (DE) 2007-07-19 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-20080318934-A1 Diazepinoes CDK1, MAP3K11, MAP3K1 LMNA 1800/4885RXFP1 3105/4885MAPT 904/4885

“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.