SCHEMBL428046

SCHEMBL428046

COc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c(C(N)C3CC3)c2C(=O)O)cc1CN1CCN(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.38
MAPKAPK2 P49137 9/20 0.37
MAP4K1 Q92918 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SCN9A Q15858 1/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
NPC1 O15118 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL429965 0.93 KDM4E (0.39) MAPKAPK2KDM4ESCN9A
SCHEMBL428958 0.85 MAP3K11 (0.38) CHEK1MAPKAPK2
SCHEMBL424686 0.85 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL426049 0.84 CHEK1 (0.39) CHEK1MAPKAPK2MAP4K1SCN9A
SCHEMBL429700 0.83 MAPKAPK2 (0.39) CHEK1MAPKAPK2
SCHEMBL428126 0.82 MAPKAPK2 (0.54) CHEK1MAPKAPK2KDM4E
SCHEMBL431509 0.82 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL428903 0.81 ALOX5AP (0.40) CHEK1MAPKAPK2KDM4E
SCHEMBL429670 0.81 CHEK1 (0.36) CHEK1MAPKAPK2
SCHEMBL428431 0.81 MAPKAPK2 (0.40) MAPKAPK2ROCK2ROCK1

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 CHEK1 1814/4885MAPKAPK2 480/4885MAP4K1 1111/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 CHEK1 1814/4885MAPKAPK2 480/4885MAP4K1 1111/4885

“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.