SCHEMBL431382

SCHEMBL431382

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(-c3cccnc3)cc1-2)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.41
KMO O15229 2/20 0.36
FHIT P49789 1/20 0.35
PIM1 P11309 1/20 0.34
PKN2 Q16513 1/20 0.34
PRKD3 O94806 1/20 0.33
ABL1 P00519 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PDGFRB P09619 1/20 0.33
BCR P11274 1/20 0.33
SRC P12931 1/20 0.33
PDGFRA P16234 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 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
SCHEMBL428272 0.96 MAPKAPK2 (0.40) MAPKAPK2KMOFHITPIM1PKN2
SCHEMBL424662 0.87 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL431849 0.86 MAPKAPK2 (0.40) MAPKAPK2CYP11B2
SCHEMBL430923 0.86 MAPKAPK2 (0.39) MAPKAPK2CYP11B2
SCHEMBL424603 0.86 MAPKAPK2 (0.42) MAPKAPK2
SCHEMBL426625 0.86 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL430162 0.86 MAPKAPK2 (0.42) MAPKAPK2
SCHEMBL429847 0.85 MAPKAPK2 (0.38) MAPKAPK2ABL1CYP11B1CYP11B2
SCHEMBL429912 0.85 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL429916 0.84 MAPKAPK2 (0.46) 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 480/4885KMO 913/4885FHIT 4500/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885KMO 913/4885FHIT 4500/4885

“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.