SCHEMBL426685

SCHEMBL426685

NC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(-c4cccc(F)c4)cc2-3)COC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 16/20 0.50
KMO O15229 2/20 0.36
HPGDS O60760 1/20 0.35
MPL P40238 1/20 0.34

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
SCHEMBL430919 0.92 MAPKAPK2 (0.53) MAPKAPK2KMOHPGDSMPL
SCHEMBL429814 0.91 MAPKAPK2 (0.55) MAPKAPK2KMOHPGDSMPL
SCHEMBL427948 0.90 MAPKAPK2 (0.39) MAPKAPK2KMOMPL
SCHEMBL431096 0.90 MPL (0.42) MAPKAPK2KMOMPL
SCHEMBL430694 0.89 MPL (0.44) MAPKAPK2KMOMPL
SCHEMBL430505 0.88 MAPKAPK2 (0.41) MAPKAPK2MPL
SCHEMBL424590 0.85 MAPKAPK2 (0.48) MAPKAPK2
SCHEMBL430684 0.85 MAPKAPK2 (0.39) MAPKAPK2MPL
SCHEMBL428609 0.83 MAPKAPK2 (0.42) MAPKAPK2MPL
SCHEMBL426556 0.83 MAPKAPK2 (0.46) MAPKAPK2HPGDSMPL

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

“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.