SCHEMBL431327

SCHEMBL431327

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(OC3CCCC3)nc1-2)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.33
MAPKAPK2 P49137 1/20 0.31

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
SCHEMBL430503 0.82 MAP3K14 (0.31) MAPKAPK2
SCHEMBL431326 0.81 HSP90AA1 (0.31) HSP90AA1
SCHEMBL428547 0.80 ALDH1A1 (0.35) HSP90AA1
SCHEMBL424775 0.78 MAPKAPK2 (0.54) MAPKAPK2
SCHEMBL425417 0.76 MAPKAPK2 (0.49) MAPKAPK2
SCHEMBL426093 0.75 MAPKAPK2 (0.47) MAPKAPK2
SCHEMBL430202 0.74 PTPN11 (0.44)
SCHEMBL427819 0.74 MAPKAPK2 (0.46) MAPKAPK2
SCHEMBL430537 0.74 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL425979 0.73 MPL (0.30) 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 HSP90AA1 2205/4885MAPKAPK2 480/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 HSP90AA1 2205/4885MAPKAPK2 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.