SCHEMBL426738

SCHEMBL426738

CC(C)Oc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c(C(N)C3CCC3)c2C(=O)O)cn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 12/20 0.38
PIK3CA P42336 1/20 0.34
FFAR2 O15552 1/20 0.33
PTGES O14684 1/20 0.32
S1PR1 P21453 1/20 0.32
USP30 Q70CQ3 1/20 0.32
LIPG Q9Y5X9 1/20 0.32

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
SCHEMBL425060 0.97 MAPKAPK2 (0.39) MAPKAPK2PIK3CAFFAR2PTGESS1PR1
SCHEMBL430060 0.93 MAPKAPK2 (0.42) MAPKAPK2PIK3CA
SCHEMBL431509 0.89 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL427334 0.88 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL428725 0.88 MAPKAPK2 (0.38) MAPKAPK2PIK3CAPTGES
SCHEMBL429719 0.87 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL428019 0.87 DGAT1 (0.35) MAPKAPK2
SCHEMBL424678 0.87 MAPKAPK2 (0.52) MAPKAPK2
SCHEMBL431330 0.86 MAPKAPK2 (0.45) MAPKAPK2
SCHEMBL427354 0.86 MAPKAPK2 (0.36) MAPKAPK2PIK3CA

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 480/4885PIK3CA 338/4885FFAR2 2633/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885PIK3CA 338/4885FFAR2 2633/4885

“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.