SCHEMBL431849

SCHEMBL431849

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(-c3cncc(F)c3)cc1-2)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 17/20 0.40
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
CYP11B2 P19099 1/20 0.31
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 1/20 0.30

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
SCHEMBL430923 0.89 MAPKAPK2 (0.39) MAPKAPK2CYP11B2
SCHEMBL430920 0.89 MAPKAPK2 (0.54) MAPKAPK2
SCHEMBL429847 0.88 MAPKAPK2 (0.38) MAPKAPK2DYRK1ACYP11B2
SCHEMBL429916 0.87 MAPKAPK2 (0.46) MAPKAPK2CLK1DYRK1ACYP11B2
SCHEMBL428414 0.86 MAPKAPK2 (0.47) MAPKAPK2
SCHEMBL431382 0.86 MAPKAPK2 (0.41) MAPKAPK2CYP11B2
SCHEMBL428963 0.86 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL428742 0.86 MAPKAPK2 (0.38) MAPKAPK2CYP11B2
SCHEMBL426625 0.85 MAPKAPK2 (0.41) MAPKAPK2PARP10PARP11
SCHEMBL430554 0.84 MAPKAPK2 (0.37) MAPKAPK2DYRK1ACYP11B2

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 480/4885CLK1 4043/4885DYRK1A 1673/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885CLK1 4043/4885DYRK1A 1673/4885

“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.