SCHEMBL430922

SCHEMBL430922

Cc1cncc(-c2cc3c(cn2)CCc2c-3[nH]c(CC3(N)CC3)c2C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 15/20 0.41
MPL P40238 3/20 0.34
CYP11B2 P19099 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CYP3A4 P08684 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
SCHEMBL428741 0.96 MAPKAPK2 (0.40) MAPKAPK2MPLCYP11B2HCRTR1HCRTR2
SCHEMBL429915 0.89 MAPKAPK2 (0.47) MAPKAPK2CYP11B2CYP3A4
SCHEMBL431848 0.89 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL429846 0.87 MAPKAPK2 (0.40) MAPKAPK2CYP11B2
SCHEMBL431381 0.86 MAPKAPK2 (0.40) MAPKAPK2CYP11B2
SCHEMBL424661 0.86 MAPKAPK2 (0.40) MAPKAPK2MPL
SCHEMBL426085 0.86 MAPKAPK2 (0.46) MAPKAPK2CYP11B2
SCHEMBL428962 0.86 MAPKAPK2 (0.38) MAPKAPK2MPL
SCHEMBL430553 0.84 MAPKAPK2 (0.39) MAPKAPK2CYP11B2
SCHEMBL426415 0.83 MAPKAPK2 (0.57) MAPKAPK2MPLCYP11B2CYP3A4

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 4 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
CN-101687869-A Tetracyclic lactam derivatives as MK2 inhibitors NOVARTIS AG 2010-03-31 CN 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 480/4885MPL 132/4885CYP11B2 2079/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885MPL 132/4885CYP11B2 2079/4885

“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.