SCHEMBL531217

SCHEMBL531217

CN(CC(N)c1cccc(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 10/20 0.57
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
CCR5 P51681 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL14974818 1.00 GBA1 (0.57) GBA1CA9CA12CA1CA2
SCHEMBL14974819 1.00 GBA1 (0.57) GBA1CA9CA12CA1CA2
Hydrochloric Acid SCHEMBL15757861 0.99 GBA1 (0.56) GBA1CA9CA12CA1CA2
Hydrochloric Acid SCHEMBL15757864 0.99 GBA1 (0.56) GBA1CA9CA12CA1CA2
Hydrochloric Acid SCHEMBL15757862 0.99 GBA1 (0.56) GBA1CA9CA12CA1CA2
SCHEMBL14974915 0.86 GBA1 (0.67) GBA1CA9CA12CA1CA2
SCHEMBL14974913 0.86 GBA1 (0.67) GBA1CA9CA12CA1CA2
SCHEMBL14974422 0.86 GBA1 (0.55) GBA1CA9CA12CA1CA2
SCHEMBL14974421 0.86 GBA1 (0.55) GBA1CA9CA12CA1CA2
SCHEMBL27913671 0.86 GBA1 (0.55) GBA1CA9CA12CA1CA2

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 13 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
EP-2794571-B1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-02 EP disclosed
CN-105793254-A Azaquinazoline carboxamide derivatives 默克专利有限公司 2016-07-20 CN 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
EP-2598492-A1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K Merck Patent GmbH (DE) 2013-06-05 EP disclosed
CN-103003250-A Bicyclic azaheterocyclic carboxamides as inhibitors of the kinase p70s6k MERCK PATENT GMBH 2013-03-27 CN disclosed
WO-2012013282-A1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2012-02-02 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 GBA1 1745/4885CA9 3905/4885CA12 4351/4885
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MAP3K19, MAP3K15, MAP3K12 GBA1 1783/4885CA9 3947/4885CA12 4391/4885
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MAP3K15, MAP3K12, MAP3K11 GBA1 2151/4885CA9 4329/4885CA12 4615/4885
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 GBA1 1783/4885CA9 3947/4885CA12 4391/4885

“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.