SCHEMBL427169

SCHEMBL427169

N#Cc1cccc(-c2ncc3c(n2)-c2[nH]c(CC4(N)CCC4)c(C(=O)O)c2CC3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.37
AKT1 P31749 2/20 0.36
AKT2 P31751 1/20 0.36
PIN1 Q13526 1/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
ADORA2A P29274 1/20 0.34
GRK6 P43250 2/20 0.33
CYP11B2 P19099 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
VNN1 O95497 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL430536 0.89 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL427818 0.89 MAPKAPK2 (0.48) MAPKAPK2PIN1
SCHEMBL428481 0.87 MAPKAPK2 (0.43) MAPKAPK2PIN1LMNA
SCHEMBL426092 0.85 MAPKAPK2 (0.49) MAPKAPK2PIN1
SCHEMBL424602 0.82 MAPKAPK2 (0.41) MAPKAPK2AKT1AKT2PIN1CYP11B2
SCHEMBL427170 0.81 MAPKAPK2 (0.36) MAPKAPK2PIN1CPT2CPT1ACYP11B2
SCHEMBL431524 0.80 MAPKAPK2 (0.50) MAPKAPK2
SCHEMBL431590 0.80 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL431574 0.80 MAPKAPK2 (0.40) MAPKAPK2PDE4D
SCHEMBL428498 0.80 MAPKAPK2 (0.37) 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 480/4885AKT1 176/4885AKT2 78/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885AKT1 176/4885AKT2 78/4885

“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.