SCHEMBL426416

SCHEMBL426416

COCCOc1cncc(-c2cc3c(cn2)CCc2c-3[nH]c(C(N)C3CCC3)c2C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 17/20 0.57
MAPK9 P45984 3/20 0.39
CYP3A4 P08684 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP11B2 P19099 1/20 0.31
MPL P40238 1/20 0.30

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
SCHEMBL426086 0.91 MAPKAPK2 (0.45) MAPKAPK2CYP11B2
SCHEMBL429916 0.88 MAPKAPK2 (0.46) MAPKAPK2CYP3A4CYP11B2
SCHEMBL431416 0.87 MAPKAPK2 (0.46) MAPKAPK2MPL
SCHEMBL428742 0.86 MAPKAPK2 (0.38) MAPKAPK2CYP11B2MPL
SCHEMBL428431 0.85 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL431401 0.84 MAPKAPK2 (0.39) MAPKAPK2CYP11B2
SCHEMBL424678 0.83 MAPKAPK2 (0.52) MAPKAPK2
SCHEMBL430554 0.83 MAPKAPK2 (0.37) MAPKAPK2CYP11B2
SCHEMBL431849 0.82 MAPKAPK2 (0.40) MAPKAPK2CYP11B2
SCHEMBL430923 0.82 MAPKAPK2 (0.39) MAPKAPK2CYP11B2MPL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US claimed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US claimed
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 480/4885MAPK9 559/4885CYP3A4 1891/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885MAPK9 559/4885CYP3A4 1891/4885

“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.