SCHEMBL430242

SCHEMBL430242

NC1(Cc2oc3c(c2C(=O)O)CCc2cnc(-c4cccc(F)c4)cc2-3)CNC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.55
HPGDS O60760 1/20 0.37
KMO O15229 2/20 0.36
DHODH Q02127 1/20 0.33
FYN P06241 1/20 0.32
NSD2 O96028 2/20 0.32
FAAH O00519 1/20 0.32
NR4A1 P22736 1/20 0.31
NR4A2 P43354 1/20 0.31
NR4A3 Q92570 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
SCHEMBL428198 0.84 MAPKAPK2 (0.59) MAPKAPK2HPGDSKMODHODHFYN
SCHEMBL429814 0.84 MAPKAPK2 (0.55) MAPKAPK2HPGDSKMO
SCHEMBL423563 0.84 MAPKAPK2 (0.46) MAPKAPK2NSD2
SCHEMBL429834 0.83 MAPKAPK2 (0.46) MAPKAPK2
SCHEMBL431130 0.83 MAPKAPK2 (0.44) MAPKAPK2HPGDSKMOFYNNSD2
SCHEMBL423564 0.78 MAPKAPK2 (0.48) MAPKAPK2HPGDSKMO
SCHEMBL430919 0.77 MAPKAPK2 (0.53) MAPKAPK2HPGDSKMODHODH
SCHEMBL426685 0.76 MAPKAPK2 (0.50) MAPKAPK2HPGDSKMO
SCHEMBL423654 0.76 MAPKAPK2 (0.58) MAPKAPK2HPGDSKMODHODH
SCHEMBL429348 0.75 MAPKAPK2 (0.58) MAPKAPK2KMO

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 480/4885HPGDS 524/4885KMO 913/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885HPGDS 524/4885KMO 913/4885

“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.