SCHEMBL430554

SCHEMBL430554

N#Cc1cncc(-c2cc3c(cn2)CCc2c-3[nH]c(C(N)C3CCC3)c2C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.37
CYP11B2 P19099 2/20 0.35
JAK3 P52333 2/20 0.32
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ABL1 P00519 1/20 0.31
GRIA2 P42262 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
CYP11B1 P15538 1/20 0.31
CTPS1 P17812 2/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
CPT1A P50416 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
SCHEMBL429847 0.97 MAPKAPK2 (0.38) MAPKAPK2CYP11B2JAK3KCNH2HRH3
SCHEMBL428742 0.88 MAPKAPK2 (0.38) MAPKAPK2CYP11B2
SCHEMBL429912 0.86 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL426086 0.86 MAPKAPK2 (0.45) MAPKAPK2CYP11B2JAK3CYP11B1DYRK1A
SCHEMBL431305 0.86 MAPKAPK2 (0.37) MAPKAPK2JAK3
SCHEMBL424603 0.86 MAPKAPK2 (0.42) MAPKAPK2
SCHEMBL428272 0.85 MAPKAPK2 (0.40) MAPKAPK2CYP11B2CYP11B1
SCHEMBL431849 0.84 MAPKAPK2 (0.40) MAPKAPK2CYP11B2DYRK1A
SCHEMBL430923 0.84 MAPKAPK2 (0.39) MAPKAPK2CYP11B2
SCHEMBL429719 0.83 MAPKAPK2 (0.36) 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 480/4885CYP11B2 2079/4885JAK3 1032/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885CYP11B2 2079/4885JAK3 1032/4885

“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.