SCHEMBL425417

SCHEMBL425417

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(-c3ccccc3F)nc1-2)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 9/20 0.49
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
DHODH Q02127 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GSR P00390 1/20 0.33
IDH1 O75874 1/20 0.32
AURKA O14965 2/20 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

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
SCHEMBL428450 0.85 MAPKAPK2 (0.52) MAPKAPK2DHODH
SCHEMBL429404 0.84 PLK1 (0.49) AURKACCNA2CDK2PLK1CCNA1
SCHEMBL426093 0.84 MAPKAPK2 (0.47) MAPKAPK2DHODH
SCHEMBL427819 0.81 MAPKAPK2 (0.46) MAPKAPK2DHODH
SCHEMBL430503 0.81 MAP3K14 (0.31) MAPKAPK2
SCHEMBL425416 0.80 MAPKAPK2 (0.53) MAPKAPK2CYP1A2CYP3A4GAACYP2C19
SCHEMBL424775 0.80 MAPKAPK2 (0.54) MAPKAPK2CYP1A2GAACYP2C19HTT
SCHEMBL430202 0.78 PTPN11 (0.44) CYP1A2CYP3A4GAACYP2C19HTT
SCHEMBL431575 0.78 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL430537 0.78 MAPKAPK2 (0.36) MAPKAPK2HTTALDH1A1

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 480/4885CYP1A2 262/4885CYP3A4 1891/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885CYP1A2 262/4885CYP3A4 1891/4885

“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.