SCHEMBL426505

SCHEMBL426505

NC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(-c4ccc(CCCN5CC(O)C5)cc4)cc2-3)CC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MPL P40238 5/20 0.36
MAPKAPK2 P49137 15/20 0.35

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
SCHEMBL429123 0.89 MAPKAPK2 (0.46) MPLMAPKAPK2
SCHEMBL431351 0.84 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL426506 0.84 MPL (0.34) MPLMAPKAPK2
SCHEMBL429669 0.83 CHEK1 (0.38) MAPKAPK2
SCHEMBL428593 0.83 MAPKAPK2 (0.37) MPLMAPKAPK2
SCHEMBL426534 0.83 MAPKAPK2 (0.37) MPLMAPKAPK2
SCHEMBL428957 0.81 MAP3K11 (0.38) MAPKAPK2
SCHEMBL426031 0.80 CHEK1 (0.40) MAPKAPK2
SCHEMBL428125 0.80 MAPKAPK2 (0.53) MPLMAPKAPK2
SCHEMBL429911 0.80 MAPKAPK2 (0.38) 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 MPL 132/4885MAPKAPK2 480/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MPL 132/4885MAPKAPK2 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.