SCHEMBL528870

SCHEMBL528870

CN(C[C@@H](N)c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.46
MMP1 P03956 1/20 0.46
RORC P51449 1/20 0.44
CA9 Q16790 3/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA5A P35218 2/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
HSD11B1 P28845 1/20 0.41
CYP19A1 P11511 1/20 0.39
MMP3 P08254 1/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 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
SCHEMBL14974940 1.00 GBA1 (0.46) GBA1MMP1RORCCA9CA1
SCHEMBL22115900 1.00 GBA1 (0.46) GBA1MMP1RORCCA9CA1
Hydrochloric Acid SCHEMBL17076908 0.99 GBA1 (0.46) GBA1MMP1RORCCA9CA1
Hydrochloric Acid SCHEMBL17076909 0.99 GBA1 (0.46) GBA1MMP1RORCCA9CA1
Hydrochloric Acid SCHEMBL17076910 0.99 GBA1 (0.46) GBA1MMP1RORCCA9CA1
SCHEMBL14974421 0.87 GBA1 (0.55) GBA1CA9CA1CA2CA5A
SCHEMBL14974422 0.87 GBA1 (0.55) GBA1CA9CA1CA2CA5A
SCHEMBL27913671 0.87 GBA1 (0.55) GBA1CA9CA1CA2CA5A
SCHEMBL28088541 0.85 CA9 (0.48) GBA1CA9CA1CA2CA5A
SCHEMBL28088542 0.85 CA9 (0.48) GBA1CA9CA1CA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925747-B1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-24 EP disclosed
CN-105793254-A Azaquinazoline carboxamide derivatives 默克专利有限公司 2016-07-20 CN disclosed
CN-103003250-B As the bicyclic nitrogen heterocycles methane amide of kinases P70S6K inhibitor MERCK PATENT GMBH (DE) 2016-02-17 CN disclosed
EP-2598492-B1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2015-10-28 EP disclosed
US-8710044-B2 Bicyclic azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-04-29 US disclosed
EP-2598492-A1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K Merck Patent GmbH (DE) 2013-06-05 EP disclosed
US-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-05-30 US 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 (1 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-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides CCNI, CCNA1, CCNA2 GBA1 1051/4885MMP1 3848/4885RORC 562/4885

“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.