SCHEMBL431102

SCHEMBL431102

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(-c3cc4ccccc4o3)cc1-2)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.36
CSNK2A1 P68400 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MKNK2 Q9HBH9 5/20 0.34
EIF4E P06730 4/20 0.34
KCNH2 Q12809 3/20 0.34
MAPKAPK2 P49137 1/20 0.34
CDC7 O00311 1/20 0.34
VCP P55072 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 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
SCHEMBL428450 0.82 MAPKAPK2 (0.52) MAPKAPK2
SCHEMBL431101 0.81 KDM4E (0.35) MKNK1CSNK2A1SIRT2SIRT1KDM4E
SCHEMBL431382 0.80 MAPKAPK2 (0.41) MAPKAPK2CYP19A1
SCHEMBL430533 0.79 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL430162 0.79 MAPKAPK2 (0.42) MAPKAPK2MAPT
SCHEMBL430920 0.79 MAPKAPK2 (0.54) MAPKAPK2
SCHEMBL424662 0.78 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL428414 0.78 MAPKAPK2 (0.47) MAPKAPK2MAPT
SCHEMBL429912 0.78 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL426659 0.77 MAPKAPK2 (0.36) 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 MKNK1 187/4885CSNK2A1 49/4885SIRT2 240/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MKNK1 187/4885CSNK2A1 49/4885SIRT2 240/4885

“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.