SCHEMBL431305

SCHEMBL431305

N#Cc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c(C(N)C3CCC3)c2C(=O)O)cn1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.37
CHEK1 O14757 3/20 0.33
SCN9A Q15858 1/20 0.32
MELK Q14680 1/20 0.32
JAK3 P52333 1/20 0.32
PTGS2 P35354 1/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL428122 0.97 MAPKAPK2 (0.38) MAPKAPK2CHEK1KDM1A
SCHEMBL429719 0.89 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL427334 0.88 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL431330 0.88 MAPKAPK2 (0.45) MAPKAPK2
SCHEMBL429912 0.87 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL424678 0.86 MAPKAPK2 (0.52) MAPKAPK2CHEK1
SCHEMBL430554 0.86 MAPKAPK2 (0.37) MAPKAPK2JAK3
SCHEMBL430060 0.86 MAPKAPK2 (0.42) MAPKAPK2
SCHEMBL427354 0.86 MAPKAPK2 (0.36) MAPKAPK2KDM1A
SCHEMBL426738 0.85 MAPKAPK2 (0.38) 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 480/4885CHEK1 1814/4885SCN9A 1926/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885CHEK1 1814/4885SCN9A 1926/4885

“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.