SCHEMBL15054871

SCHEMBL15054871

COC(=O)c1ccc(N[C@H](CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)c2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 13/20 0.40
AURKA O14965 11/20 0.40
PGR P06401 4/20 0.38
AR P10275 4/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36

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
SCHEMBL15054872 1.00 RPS6KB1 (0.40) RPS6KB1AURKAPGRARLMNA
SCHEMBL28137529 0.93 RPS6KB1 (0.42) RPS6KB1AURKAPGRARADAMTS5
SCHEMBL15055422 0.92 RPS6KB1 (0.49) RPS6KB1AURKA
SCHEMBL15055425 0.92 RPS6KB1 (0.49) RPS6KB1AURKA
SCHEMBL15055091 0.75 RPS6KB1 (0.37) RPS6KB1AURKAPGRAR
SCHEMBL15055089 0.75 RPS6KB1 (0.37) RPS6KB1AURKAPGRAR
SCHEMBL15055093 0.75 RPS6KB1 (0.37) RPS6KB1AURKAPGRAR
SCHEMBL527876 0.75 RPS6KB1 (0.43) RPS6KB1AURKA
SCHEMBL666154 0.69 RPS6KB1 (0.54) RPS6KB1AURKA
SCHEMBL531217 0.69 GBA1 (0.57) PGRARLMNAMAPTNPSR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-09-25 US disclosed
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-24 US disclosed
EP-2794571-B1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-02 EP disclosed
US-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-03-03 US disclosed
US-9139568-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-22 US disclosed
EP-2794571-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2014-10-29 EP disclosed
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-10-16 US disclosed
WO-2013096194-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-06-27 WO 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 (4 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-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 RPS6KB1 237/4885AURKA 118/4885PGR 4011/4885
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MAP3K19, MAP3K15, MAP3K12 RPS6KB1 210/4885AURKA 158/4885PGR 3974/4885
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MAP3K15, MAP3K12, MAP3K11 RPS6KB1 197/4885AURKA 184/4885PGR 3422/4885
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 RPS6KB1 210/4885AURKA 158/4885PGR 3974/4885

“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.