SCHEMBL428168

SCHEMBL428168

COc1ccc(-c2ncc3c(n2)-c2c(c(C(=O)O)c(CC4(N)CNC4)n2C)CC3)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.40
PDE4B Q07343 5/20 0.37
TTK P33981 3/20 0.36
PIM1 P11309 1/20 0.36
PLK1 P53350 4/20 0.35
KIT P10721 2/20 0.33
CD274 Q9NZQ7 1/20 0.33
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CCNA1 P78396 3/20 0.33
PLK3 Q9H4B4 2/20 0.33
PLK2 Q9NYY3 2/20 0.33
RPS6KA4 O75676 1/20 0.33
CDK1 P06493 1/20 0.33
IMPDH2 P12268 1/20 0.33
CCNB1 P14635 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CCNE1 P24864 1/20 0.33
FLT4 P35916 1/20 0.33
CSNK1D P48730 1/20 0.33

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
SCHEMBL428910 0.88 MAPKAPK2 (0.45) MAPKAPK2TTKPIM1PLK1CCNA2
SCHEMBL430545 0.87 CCNA2 (0.41) MAPKAPK2TTKPIM1PLK1CCNA2
SCHEMBL424681 0.86 MAPKAPK2 (0.46) MAPKAPK2PLK1CCNA2CDK2CCNA1
SCHEMBL428160 0.86 CCNA2 (0.38) MAPKAPK2TTKPLK1CCNA2CDK2
SCHEMBL429822 0.84 MAPKAPK2 (0.38) MAPKAPK2PLK1CCNA2CDK2CCNA1
SCHEMBL423598 0.83 MAPKAPK2 (0.36) MAPKAPK2TTKPIM1PLK1CCNA2
SCHEMBL429043 0.82 MAPKAPK2 (0.35) MAPKAPK2PLK1CCNA2CDK2CCNA1
SCHEMBL427356 0.81 MAPKAPK2 (0.39) MAPKAPK2TTKPIM1PLK1MEN1
SCHEMBL431842 0.78 MAPKAPK2 (0.48) MAPKAPK2TTKPIM1PLK1CCNA2
SCHEMBL431574 0.77 MAPKAPK2 (0.40) MAPKAPK2PDE4BKITPDE4D

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 480/4885PDE4B 1832/4885TTK 869/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885PDE4B 1832/4885TTK 869/4885

“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.