SCHEMBL431575

SCHEMBL431575

COc1ccc(-c2ncc3c(n2)-c2[nH]c(C(N)C4CCC4)c(C(=O)O)c2CC3)cc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 9/20 0.40
PDE4B Q07343 2/20 0.35
MDM2 Q00987 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
KDM1A O60341 2/20 0.33
KIT P10721 1/20 0.33
FFAR1 O14842 1/20 0.33
MAPK9 P45984 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL428482 0.86 MAPKAPK2 (0.42) MAPKAPK2PDE4B
SCHEMBL424775 0.84 MAPKAPK2 (0.54) MAPKAPK2
SCHEMBL424686 0.83 MAPKAPK2 (0.41) MAPKAPK2FFAR1MAPK9JAK2
SCHEMBL430537 0.82 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL426093 0.81 MAPKAPK2 (0.47) MAPKAPK2
SCHEMBL431574 0.80 MAPKAPK2 (0.40) MAPKAPK2PDE4BPDGFRBPDGFRAKIT
SCHEMBL428499 0.79 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL430214 0.79 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL425417 0.78 MAPKAPK2 (0.49) MAPKAPK2
SCHEMBL428934 0.78 MAPKAPK2 (0.44) MAPKAPK2PDE4BPDGFRBPDGFRAKIT

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 480/4885PDE4B 1832/4885MDM2 1377/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885PDE4B 1832/4885MDM2 1377/4885

“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.