SCHEMBL429699

SCHEMBL429699

C#Cc1cc(-c2cc3c(cn2)CCc2c-3[nH]c(CC3(N)CC3)c2C(=O)O)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 17/20 0.39
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
CHEK2 O96017 1/20 0.33
CSF1R P07333 1/20 0.33
RPS6KB1 P23443 1/20 0.33
MARK3 P27448 1/20 0.33
FLT3 P36888 1/20 0.33
RPS6KA3 P51812 1/20 0.33
AURKB Q96GD4 1/20 0.33
MPL P40238 1/20 0.32

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
SCHEMBL428669 0.87 MAPKAPK2 (0.39) MAPKAPK2MPL
SCHEMBL424693 0.86 MAPKAPK2 (0.42) MAPKAPK2MPL
SCHEMBL428749 0.85 MAPKAPK2 (0.42) MAPKAPK2CHEK1AURKAJAK2CHEK2
SCHEMBL428125 0.85 MAPKAPK2 (0.53) MAPKAPK2MPL
SCHEMBL431508 0.84 MAPKAPK2 (0.42) MAPKAPK2MPL
SCHEMBL426049 0.83 CHEK1 (0.39) MAPKAPK2CHEK1
SCHEMBL428430 0.83 MAPKAPK2 (0.41) MAPKAPK2MPL
SCHEMBL428984 0.83 MAPKAPK2 (0.38) MAPKAPK2MPL
SCHEMBL429700 0.82 MAPKAPK2 (0.39) MAPKAPK2CHEK1AURKAJAK2CHEK2
SCHEMBL429964 0.82 MAPKAPK2 (0.42) 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 MAPKAPK2 480/4885CHEK1 1814/4885AURKA 767/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885CHEK1 1814/4885AURKA 767/4885

“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.