SCHEMBL425691

SCHEMBL425691

CN1CCOc2cc(-c3cc4c(cn3)CCc3c-4[nH]c(C4(CN)CC4)c3C(=O)O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 12/20 0.44
METAP2 P50579 1/20 0.36
GRM5 P41594 1/20 0.36
NOTUM Q6P988 1/20 0.35
HDAC4 P56524 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
POLQ O75417 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
SCHEMBL431584 0.88 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL430066 0.81 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL425977 0.79 MAPKAPK2 (0.56) MAPKAPK2
SCHEMBL428439 0.79 MAPKAPK2 (0.55) MAPKAPK2
SCHEMBL426198 0.79 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL428390 0.79 MAPKAPK2 (0.46) MAPKAPK2
SCHEMBL428899 0.79 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL428278 0.78 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL426528 0.78 MAPKAPK2 (0.56) MAPKAPK2
SCHEMBL428502 0.77 MAPKAPK2 (0.43) MAPKAPK2CYP11B1CYP11B2

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 480/4885METAP2 2500/4885GRM5 3105/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885METAP2 2500/4885GRM5 3105/4885

“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.