SCHEMBL1773998

SCHEMBL1773998

CSc1ncc(C(=O)O)c(Nc2cc(C)ccc2N)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SYK P43405 2/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.41
RXFP1 Q9HBX9 4/20 0.40
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
AHR P35869 1/20 0.37

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 0.91 MAPT (0.45) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL1774892 0.86 MAPT (0.64) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL1773691 0.86 MAPT (0.44) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL27724674 0.85 MAPT (0.43) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL27724665 0.85 KDM4E (0.44) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL2174057 0.84 MAPT (0.53) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL4704347 0.83 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL1773735 0.81 LMNA (0.46) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL1775201 0.81 MEN1 (0.42) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL1773447 0.79 MEN1 (0.52) MAPTALDH1A1SMN1; SMN2SYKMAPK1

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-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 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.