SCHEMBL428481

SCHEMBL428481

COc1cccc(-c2ncc3c(n2)-c2[nH]c(CC4(N)CCC4)c(C(=O)O)c2CC3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.43
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CCNA1 P78396 3/20 0.36
AURKA O14965 2/20 0.36
EGFR P00533 1/20 0.36
PLK1 P53350 1/20 0.36
PIN1 Q13526 1/20 0.36
DHODH Q02127 1/20 0.35
RECQL P46063 1/20 0.35
VDR P11473 1/20 0.35
PPARD Q03181 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
BRD4 O60885 1/20 0.34
MEN1 O00255 1/20 0.34
ALPL P05186 1/20 0.34
CLK1 P49759 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34

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) MAPKAPK2MEN1KMT2A
SCHEMBL427818 0.89 MAPKAPK2 (0.48) MAPKAPK2PIN1DHODH
SCHEMBL424760 0.88 MAPKAPK2 (0.54) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL427169 0.87 MAPKAPK2 (0.37) MAPKAPK2PIN1LMNA
SCHEMBL431574 0.87 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL427596 0.86 MAPKAPK2 (0.39) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL426092 0.85 MAPKAPK2 (0.49) MAPKAPK2PIN1DHODH
SCHEMBL425909 0.83 MAPKAPK2 (0.53) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL423514 0.82 MAPKAPK2 (0.50) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL431524 0.80 MAPKAPK2 (0.50) MAPKAPK2DHODH

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 480/4885CCNA2 23/4885CDK2 32/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885CCNA2 23/4885CDK2 32/4885

“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.