SCHEMBL431101

SCHEMBL431101

NC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(-c4cc5ccccc5o4)cc2-3)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
CDC7 O00311 1/20 0.34
MAPKAPK2 P49137 4/20 0.34
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
METAP2 P50579 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
CSNK2A1 P68400 1/20 0.33
GRM4 Q14833 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
SCHEMBL428449 0.81 MAPKAPK2 (0.51) MAPKAPK2
SCHEMBL431102 0.81 MKNK1 (0.36) KDM4EALDH1A1KDM5AKDM4CKDM5B
SCHEMBL431381 0.80 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL428440 0.79 MPL (0.41) MAPKAPK2MPL
SCHEMBL430532 0.78 MAPKAPK2 (0.39) MAPKAPK2MPL
SCHEMBL430161 0.78 MAPKAPK2 (0.41) MAPKAPK2MAPT
SCHEMBL424661 0.78 MAPKAPK2 (0.40) MAPKAPK2MPL
SCHEMBL428413 0.78 MAPKAPK2 (0.51) MAPKAPK2MPL
SCHEMBL424735 0.78 MPL (0.31) MAPKAPK2MPL
SCHEMBL432018 0.77 MAPKAPK2 (0.39) MAPKAPK2MPL

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 KDM4E 1966/4885ALDH1A1 3295/4885KDM5A 3079/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 KDM4E 1966/4885ALDH1A1 3295/4885KDM5A 3079/4885

“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.