SCHEMBL430408

SCHEMBL430408

Cn1c(CC2(N)CNC2)c(C(=O)O)c2c1-c1cc(-c3ccc4c(c3)OCCO4)ncc1CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALPL P05186 2/20 0.36
MAPKAPK2 P49137 5/20 0.35
ALDH1A1 P00352 5/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
DYRK1A Q13627 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 2/20 0.31
GAA P10253 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 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
SCHEMBL427952 0.90 METAP2 (0.36) MAPKAPK2CD274PDCD1
SCHEMBL431103 0.86 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL425976 0.85 MAPKAPK2 (0.43) MAPKAPK2MAPTDYRK1A
SCHEMBL429121 0.85 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL427356 0.85 MAPKAPK2 (0.39) MAPKAPK2MAPTGAAKMT2AMEN1
SCHEMBL426775 0.85 MAPKAPK2 (0.44) KDM4EALPLMAPKAPK2HSD17B10KMT2A
SCHEMBL431130 0.84 MAPKAPK2 (0.44) MAPKAPK2
SCHEMBL426728 0.84 MAPKAPK2 (0.37) MAPKAPK2CD274
SCHEMBL427603 0.84 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL426978 0.84 MAPKAPK2 (0.40) MAPKAPK2CYP3A4

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

“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.