SCHEMBL431284

SCHEMBL431284

Cn1c2c(c(C(=O)O)c1C1(CN)CNC1)CCc1cnc(-c3ccccc3F)cc1-2

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 12/20 0.59
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AURKA O14965 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
PLK1 P53350 1/20 0.32
CCNA1 P78396 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
PLK2 Q9NYY3 1/20 0.32
USP19 O94966 2/20 0.32
DHODH Q02127 1/20 0.31
WNT3A P56704 1/20 0.31

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
SCHEMBL428925 0.91 MAPKAPK2 (0.57) MAPKAPK2KDM4EALDH1A1SMN1; SMN2AURKA
SCHEMBL429038 0.87 MAPKAPK2 (0.43) MAPKAPK2DHODH
SCHEMBL431643 0.84 MAPKAPK2 (0.41) MAPKAPK2SMN1; SMN2CCNA2CDK2CCNA1
SCHEMBL429963 0.83 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL431113 0.83 MAPKAPK2 (0.44) MAPKAPK2KDM4EAURKACCNA2CDK2
SCHEMBL426871 0.81 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL426684 0.80 MAPKAPK2 (0.57) MAPKAPK2
SCHEMBL424875 0.77 MAPKAPK2 (0.45) MAPKAPK2DHODH
SCHEMBL429842 0.77 MAPKAPK2 (0.59) MAPKAPK2
SCHEMBL431131 0.76 MAPKAPK2 (0.46) MAPKAPK2AURKACCNA2CDK2PLK1

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 4 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
CN-101687869-A Tetracyclic lactam derivatives as MK2 inhibitors NOVARTIS AG 2010-03-31 CN 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 480/4885KDM4E 1966/4885ALDH1A1 3295/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885KDM4E 1966/4885ALDH1A1 3295/4885

“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.