SCHEMBL15054811

SCHEMBL15054811

CC(C)(C)OC(=O)N1CCC(CNC(=O)OCc2ccccc2)(C(=O)Nc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BACE1 P56817 1/20 0.41
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41
TACR1 P25103 1/20 0.41
P2RX7 Q99572 7/20 0.41
SYK P43405 1/20 0.40
YAP1 P46937 1/20 0.40
SCD5 Q86SK9 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL15054425 0.89 MEN1 (0.45) MEN1KMT2ABACE1TACR1P2RX7
SCHEMBL1446859 0.85 MEN1 (0.48) MEN1KMT2ABACE1TACR1P2RX7
SCHEMBL4297687 0.83 MEN1 (0.47) MEN1KMT2ABACE1TACR1P2RX7
SCHEMBL30690286 0.82 MEN1 (0.46) MEN1KMT2ABACE1TACR1P2RX7
SCHEMBL15054403 0.82 JAK2 (0.45) TACR1SCD5ALOX15TSHR
SCHEMBL6636967 0.82 MEN1 (0.49) MEN1KMT2ABACE1TACR1P2RX7
SCHEMBL4295039 0.82 LIMK2 (0.43) BACE1TACR1P2RX7YAP1
SCHEMBL6191239 0.82 MEN1 (0.48) MEN1KMT2AP2RX7SYK
SCHEMBL4780264 0.81 NPFFR1 (0.48) MEN1KMT2ABACE1NPFFR1NPFFR2
SCHEMBL4780268 0.81 NPFFR1 (0.48) MEN1KMT2ABACE1NPFFR1NPFFR2

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 MEN1 2142/4885KMT2A 262/4885BACE1 3580/4885
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MAP3K19, MAP3K15, MAP3K12 MEN1 2183/4885KMT2A 336/4885BACE1 3865/4885
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MAP3K15, MAP3K12, MAP3K11 MEN1 2531/4885KMT2A 317/4885BACE1 3738/4885
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 MEN1 2183/4885KMT2A 336/4885BACE1 3865/4885

“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.