SCHEMBL427952

SCHEMBL427952

CN1CCOc2cc(-c3cc4c(cn3)CCc3c(C(=O)O)c(CC5(N)CNC5)n(C)c3-4)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.36
POLQ O75417 1/20 0.35
GRM5 P41594 1/20 0.35
MAPKAPK2 P49137 4/20 0.35
NOTUM Q6P988 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HDAC4 P56524 2/20 0.33
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
KDM5B Q9UGL1 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 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
SCHEMBL430408 0.90 KDM4E (0.36) MAPKAPK2PDCD1CD274
SCHEMBL431103 0.83 MAPKAPK2 (0.37) MAPKAPK2CYP11B2
SCHEMBL425976 0.82 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL429121 0.82 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL427356 0.82 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL426775 0.82 MAPKAPK2 (0.44) MAPKAPK2
SCHEMBL423640 0.81 CCNA2 (0.38) METAP2POLQMAPKAPK2HDAC1KDM1A
SCHEMBL426728 0.81 MAPKAPK2 (0.37) MAPKAPK2CD274
SCHEMBL427603 0.81 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL431130 0.81 MAPKAPK2 (0.44) 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 METAP2 2500/4885POLQ 1357/4885GRM5 3105/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 METAP2 2500/4885POLQ 1357/4885GRM5 3105/4885

“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.