SCHEMBL428019

SCHEMBL428019

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(-c3ccc(OC4CCOCC4)nc3)cc1-2)C1CCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.35
KCNH2 Q12809 7/20 0.35
SOAT1 P35610 4/20 0.35
SYK P43405 2/20 0.34
MAPKAPK2 P49137 1/20 0.34
TBK1 Q9UHD2 2/20 0.33
CHEK1 O14757 1/20 0.33
ADORA2A P29274 2/20 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
SCHEMBL427611 0.97 DGAT1 (0.36) DGAT1KCNH2SOAT1SYKMAPKAPK2
SCHEMBL430060 0.87 MAPKAPK2 (0.42) KCNH2MAPKAPK2
SCHEMBL431401 0.87 MAPKAPK2 (0.39) MAPKAPK2TBK1CHEK1
SCHEMBL426738 0.87 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL431509 0.84 MAPKAPK2 (0.43) DGAT1KCNH2MAPKAPK2
SCHEMBL427911 0.84 MAPKAPK2 (0.40) MAPKAPK2TBK1CHEK1
SCHEMBL429719 0.84 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL425060 0.83 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL431330 0.83 MAPKAPK2 (0.45) MAPKAPK2
SCHEMBL427334 0.83 MAPKAPK2 (0.38) 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 DGAT1 4201/4885KCNH2 1183/4885SOAT1 4370/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 DGAT1 4201/4885KCNH2 1183/4885SOAT1 4370/4885

“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.