SCHEMBL431106

SCHEMBL431106

CN1CC(CN)(c2[nH]c3c(c2C(=O)O)CCc2cnc(-c4ccc(OCCN5CCOCC5)cc4)nc2-3)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.67
TBK1 Q9UHD2 1/20 0.41
LCK P06239 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTOR P42345 1/20 0.38
DHODH Q02127 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37

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
SCHEMBL426725 0.90 MAPKAPK2 (0.66) MAPKAPK2TBK1LCKKDM4EALDH1A1
SCHEMBL431242 0.87 MAPKAPK2 (0.61) MAPKAPK2
SCHEMBL423600 0.86 MAPKAPK2 (0.66) MAPKAPK2TBK1LCKKDM4EALDH1A1
SCHEMBL425423 0.83 MAPKAPK2 (0.61) MAPKAPK2TBK1LCKKDM4EALDH1A1
SCHEMBL429078 0.83 MAPKAPK2 (0.57) MAPKAPK2TBK1LCKKDM4EALDH1A1
SCHEMBL429949 0.82 MAPKAPK2 (0.59) MAPKAPK2TBK1LCKKDM4EALDH1A1
SCHEMBL425424 0.81 MAPKAPK2 (0.56) MAPKAPK2TBK1LCKKDM4EALDH1A1
SCHEMBL429950 0.80 MAPKAPK2 (0.55) MAPKAPK2TBK1LCKKDM4EALDH1A1
SCHEMBL1909343 0.80 MAPKAPK2 (1.00) MAPKAPK2
SCHEMBL426439 0.80 MAPKAPK2 (0.58) MAPKAPK2KDM4EALDH1A1

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 480/4885TBK1 1381/4885LCK 1380/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885TBK1 1381/4885LCK 1380/4885

“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.