SCHEMBL429965

SCHEMBL429965

COc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c(C(N)C3CC3)c2C(=O)O)cc1CN1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPKAPK2 P49137 3/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 4/20 0.38
GAA P10253 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
LRRK2 Q5S007 2/20 0.36
RECQL P46063 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SCN9A Q15858 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL428046 0.93 CHEK1 (0.38) KDM4EMAPKAPK2SCN9A
SCHEMBL428903 0.89 ALOX5AP (0.40) KDM4EMAPKAPK2KMT2ALRRK2
SCHEMBL429883 0.86 ALOX5AP (0.39) MAPKAPK2LRRK2
SCHEMBL429964 0.84 MAPKAPK2 (0.42) KDM4EALDH1A1MAPKAPK2MAPTLMNA
SCHEMBL424686 0.84 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL428237 0.84 MAPKAPK2 (0.55) KDM4EALDH1A1MAPKAPK2
SCHEMBL431374 0.83 MAPKAPK2 (0.38) KDM4EALDH1A1MAPKAPK2MAPT
SCHEMBL424694 0.83 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL428670 0.82 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL429124 0.82 MAPKAPK2 (0.42) MAPKAPK2KMT2APOLBLRRK2CD274

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 KDM4E 1966/4885ALDH1A1 3295/4885MAPKAPK2 480/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 KDM4E 1966/4885ALDH1A1 3295/4885MAPKAPK2 480/4885

“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.