SCHEMBL428757

SCHEMBL428757

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(-c3ccc4c(c3)OCCO4)cc1-2)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.38
KDM4E B2RXH2 3/20 0.38
ALPL P05186 1/20 0.38
DYRK1A Q13627 1/20 0.36
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35
TGFBR1 P36897 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
CSNK1G2 P78368 1/20 0.34
PRKD1 Q15139 1/20 0.34
MAPK14 Q16539 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 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
SCHEMBL424662 0.84 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL428414 0.84 MAPKAPK2 (0.47) MAPKAPK2MAPT
SCHEMBL429912 0.83 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL431374 0.83 MAPKAPK2 (0.38) MAPKAPK2KDM4ETGFBR1ALDH1A1MAPT
SCHEMBL432019 0.83 MAPKAPK2 (0.36) MAPKAPK2DYRK1A
SCHEMBL428122 0.83 MAPKAPK2 (0.38) MAPKAPK2CHEK1
SCHEMBL428126 0.83 MAPKAPK2 (0.54) MAPKAPK2KDM4EALPLCHEK1MEN1
SCHEMBL430920 0.83 MAPKAPK2 (0.54) MAPKAPK2
SCHEMBL426625 0.83 MAPKAPK2 (0.41) MAPKAPK2MAPT
SCHEMBL431382 0.82 MAPKAPK2 (0.41) MAPKAPK2PRKD1

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 480/4885KDM4E 1966/4885ALPL 2689/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885KDM4E 1966/4885ALPL 2689/4885

“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.