SCHEMBL429964

SCHEMBL429964

COc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c(CC3(N)CC3)c2C(=O)O)cc1CN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.42
MAPT P10636 5/20 0.40
LMNA P02545 4/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
POLB P06746 3/20 0.39
HPGD P15428 1/20 0.39
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.36
SCN9A Q15858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL426049 0.93 CHEK1 (0.39) MAPKAPK2KMT2AMEN1SCN9A
SCHEMBL428902 0.88 MAPKAPK2 (0.41) MAPKAPK2FGFR2FGFR3LRRK2
SCHEMBL429882 0.86 MAPKAPK2 (0.40) MAPKAPK2FGFR2FGFR3LRRK2
SCHEMBL429965 0.84 KDM4E (0.39) MAPKAPK2MAPTLMNAGAAL3MBTL1
SCHEMBL424685 0.84 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL431373 0.83 MAPKAPK2 (0.43) MAPKAPK2MAPTALDH1A1KDM4E
SCHEMBL428236 0.83 MAPKAPK2 (0.60) MAPKAPK2ALDH1A1KDM4E
SCHEMBL428669 0.83 MAPKAPK2 (0.39) MAPKAPK2MAPTALDH1A1KDM4EKMT2A
SCHEMBL424693 0.82 MAPKAPK2 (0.42) MAPKAPK2MAPTGAAKMT2AMEN1
SCHEMBL429699 0.82 MAPKAPK2 (0.39) MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 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 (2 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-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885MAPT 3072/4885LMNA 3998/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885MAPT 3072/4885LMNA 3998/4885

“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.