SCHEMBL428388

SCHEMBL428388

CCN1CC(CN)(c2[nH]c3c(c2C(=O)O)CCc2cnc(-c4cccc(C(=O)NCc5ccccc5)c4)cc2-3)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 8/20 0.41
CFD P00746 1/20 0.40
JAK2 O60674 1/20 0.39
MAP4K4 O95819 1/20 0.39
CHEK2 O96017 1/20 0.39
PRKCG P05129 1/20 0.39
CDK1 P06493 1/20 0.39
FES P07332 1/20 0.39
RET P07949 1/20 0.39
ROS1 P08922 1/20 0.39
FER P16591 1/20 0.39
FLT1 P17948 1/20 0.39
AXL P30530 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
MAPK9 P45984 1/20 0.39
IRAK1 P51617 1/20 0.39
LIMK1 P53667 1/20 0.39
MAP4K2 Q12851 1/20 0.39

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
SCHEMBL427644 0.93 MAPKAPK2 (0.44) MAPKAPK2CFDJAK2MAP4K4CHEK2
SCHEMBL426548 0.91 CFD (0.38) MAPKAPK2CFDJAK2MAP4K4CHEK2
SCHEMBL430061 0.84 MAPKAPK2 (0.44) MAPKAPK2CFDJAK2MAP4K4CHEK2
SCHEMBL1909490 0.82 MAPKAPK2 (0.64) MAPKAPK2
SCHEMBL431810 0.81 MAPKAPK2 (0.61) MAPKAPK2
SCHEMBL431561 0.80 JAK2 (0.42) MAPKAPK2CFDJAK2MAP4K4CHEK2
SCHEMBL431881 0.78 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL429351 0.78 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL426707 0.78 MAPKAPK2 (0.48) MAPKAPK2
SCHEMBL428721 0.78 MAPKAPK2 (0.60) 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 480/4885CFD 564/4885JAK2 333/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885CFD 564/4885JAK2 333/4885

“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.