SCHEMBL431401

SCHEMBL431401

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(-c3cncc(OC4CCOCC4)c3)cc1-2)C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.39
PTGS2 P35354 1/20 0.34
RIPK2 O43353 1/20 0.32
CYP11B2 P19099 7/20 0.32
CHEK1 O14757 1/20 0.31
ABL1 P00519 1/20 0.30
CYP11B1 P15538 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30

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
SCHEMBL427911 0.97 MAPKAPK2 (0.40) MAPKAPK2PTGS2RIPK2CYP11B2CHEK1
SCHEMBL426086 0.88 MAPKAPK2 (0.45) MAPKAPK2CYP11B2CYP11B1
SCHEMBL428019 0.87 DGAT1 (0.35) MAPKAPK2CHEK1TBK1
SCHEMBL429916 0.84 MAPKAPK2 (0.46) MAPKAPK2CYP11B2CYP11B1
SCHEMBL426416 0.84 MAPKAPK2 (0.57) MAPKAPK2CYP11B2
SCHEMBL427611 0.84 DGAT1 (0.36) MAPKAPK2CHEK1TBK1
SCHEMBL428742 0.83 MAPKAPK2 (0.38) MAPKAPK2PTGS2CYP11B2
SCHEMBL431400 0.82 MAPKAPK2 (0.39) MAPKAPK2PTGS2CYP11B2CYP11B1
SCHEMBL430554 0.82 MAPKAPK2 (0.37) MAPKAPK2CYP11B2ABL1CYP11B1
SCHEMBL427910 0.82 MAPKAPK2 (0.40) MAPKAPK2PTGS2CYP11B2CHEK1CYP11B1

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 480/4885PTGS2 131/4885RIPK2 436/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885PTGS2 131/4885RIPK2 436/4885

“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.