SCHEMBL1773447

SCHEMBL1773447

COc1ccc(Nc2nc(SC)ncc2C(=O)O)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
EGFR P00533 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
GFER P55789 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
SYK P43405 2/20 0.41
MET P08581 1/20 0.41
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
POLB P06746 1/20 0.40
SHMT2 P34897 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
SCHEMBL1773844 0.89 LMNA (0.49) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL30878841 0.88 KMT2A (0.64) MEN1KMT2AEGFRMAPTSMN1; SMN2
SCHEMBL1774479 0.87 MAPT (0.61) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL14000434 0.87 MEN1 (0.50) MEN1KMT2AEGFRMAPTSMN1; SMN2
SCHEMBL1774779 0.85 MAPT (0.45) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL4704376 0.85 KMT2A (0.48) MEN1KMT2AEGFRMAPTSMN1; SMN2
SCHEMBL1775201 0.84 MEN1 (0.42) MEN1KMT2AEGFRMAPTSMN1; SMN2
SCHEMBL1773735 0.84 LMNA (0.46) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL27745413 0.83 MAPT (0.43) MAPTSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL30879292 0.82 GAA (0.59) MEN1KMT2AMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966212-B1 DIAZEPINONES MERCK PATENT GMBH (DE) 2015-05-13 EP disclosed
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
US-7943608-B2 Diazepinoes MERCK PATENT GMBH (DE) 2011-05-17 US disclosed
US-7943608-B2 Diazepinoes MERCK PATENT GMBH (DE) 2011-05-17 US disclosed
US-20080318934-A1 Diazepinoes MERCK PATENT GESELLSCHAFT (DE) 2008-12-25 US disclosed
US-20080318934-A1 Diazepinoes MERCK PATENT GESELLSCHAFT (DE) 2008-12-25 US 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 MEN1 112/4885KMT2A 666/4885EGFR 1493/4885

“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.