SCHEMBL15054403

SCHEMBL15054403

CC(C)(C)OC(=O)N1CCC(CN)(C(=O)Nc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
SCD5 Q86SK9 1/20 0.45
TSHR P16473 3/20 0.44
ALOX15 P16050 1/20 0.44
ATM Q13315 1/20 0.44
PTPN11 Q06124 1/20 0.44
CYP1A2 P05177 1/20 0.43
USP30 Q70CQ3 1/20 0.43
CYP2C19 P33261 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
HDAC2 Q92769 1/20 0.42
TACR1 P25103 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
CYP11B2 P19099 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL20137565 0.85 TSHR (0.49) JAK2JAK1TSHRALOX15ATM
SCHEMBL15054407 0.83 ALDH1A1 (0.43) TSHRALOX15CYP1A2CYP2C19
SCHEMBL15054811 0.82 MEN1 (0.42) SCD5TSHRALOX15TACR1
SCHEMBL20137661 0.81 TSHR (0.52) JAK2JAK1SCD5TSHRALOX15
SCHEMBL28137416 0.79 MAPT (0.61) TSHRPTPN11CYP2C19OPRD1
SCHEMBL31441833 0.79 MMP2 (0.44) TSHRHDAC2
SCHEMBL3490746 0.78 JAK2 (0.51) JAK2JAK1TSHRALOX15ATM
SCHEMBL4728851 0.77 CYP4F2 (0.52) SCD5USP30HDAC2OPRD1OPRK1
SCHEMBL4728853 0.77 CYP4F2 (0.52) SCD5USP30HDAC2OPRD1OPRK1
SCHEMBL31327719 0.75 TACR1 (0.55) SCD5TSHRALOX15ATMUSP30

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 18 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
CN-104169258-B novel heterocyclic carboxamides as modulators of kinase activity 默克专利有限公司 2017-03-01 CN disclosed
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-24 US disclosed
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-24 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
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-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-03-03 US 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
US-9139568-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-22 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
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-10-16 US 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 JAK2 212/4885JAK1 165/4885SCD5 2692/4885
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MAP3K19, MAP3K15, MAP3K12 JAK2 182/4885JAK1 162/4885SCD5 2797/4885
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MAP3K15, MAP3K12, MAP3K11 JAK2 191/4885JAK1 206/4885SCD5 2505/4885
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 JAK2 182/4885JAK1 162/4885SCD5 2797/4885

“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.