SCHEMBL1774479

SCHEMBL1774479

CCOC(=O)c1cnc(SC)nc1Nc1ccc(OC)cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
LMNA P02545 3/20 0.61
SYK P43405 2/20 0.58
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
FOS P01100 1/20 0.48
JUN P05412 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 2/20 0.46

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
SCHEMBL1774366 0.93 MAPT (0.62) MAPTALDH1A1SMN1; SMN2LMNASYK
SCHEMBL30878777 0.89 MAPT (0.62) MAPTALDH1A1SMN1; SMN2LMNASYK
SCHEMBL1773964 0.89 MAPT (0.64) MAPTALDH1A1SMN1; SMN2LMNASYK
SCHEMBL1773901 0.87 MAPT (0.62) MAPTALDH1A1SMN1; SMN2LMNASYK
SCHEMBL1774655 0.87 MAPT (0.62) MAPTALDH1A1SMN1; SMN2LMNASYK
SCHEMBL1773447 0.87 MEN1 (0.52) MAPTALDH1A1SMN1; SMN2LMNASYK
SCHEMBL14000434 0.86 MEN1 (0.50) MAPTALDH1A1SMN1; SMN2LMNASYK
SCHEMBL1773244 0.85 MAPT (0.57) MAPTALDH1A1SMN1; SMN2LMNASYK
SCHEMBL1774109 0.85 ALDH1A1 (0.63) MAPTALDH1A1SMN1; SMN2LMNASYK
SCHEMBL2174009 0.85 ALDH1A1 (0.76) MAPTALDH1A1SMN1; SMN2LMNASYK

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
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

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 MAPT 904/4885ALDH1A1 1652/4885SMN1; SMN2 2997/4885

“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.