SCHEMBL353753

SCHEMBL353753

CNC(=O)c1nc(C)oc1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.38
GAA P10253 2/20 0.37
BACE1 P56817 5/20 0.36
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
KCNA3 P22001 1/20 0.34
FBP1 P09467 1/20 0.33
SSTR2 P30874 1/20 0.33

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
SCHEMBL423518 0.80 GAA (0.35) PLK1GAAKDM4EPOLBFBP1
SCHEMBL15318256 0.76 FBP1 (0.55) BACE1FBP1
SCHEMBL19942796 0.76 CTSV (0.39) GAABACE1CTSVCTSLCTSS
SCHEMBL287238 0.76 ALDH1A1 (0.33) CTSVCTSLCTSSCTSKPOLB
SCHEMBL8613414 0.76 IKBKB (0.38) GAABACE1KDM4EPOLBFBP1
SCHEMBL13247707 0.75 NPSR1 (0.54) GAAKDM4EFBP1
SCHEMBL3742227 0.74 POLB (0.44) BACE1KDM4EPOLBFBP1
Hydrochloric Acid SCHEMBL19119222 0.74 PDE4B (0.33) CTSVCTSLCTSSCTSKPOLB
SCHEMBL539776 0.74 FBP1 (0.32) CTSVCTSLCTSSCTSKPOLB
SCHEMBL7854313 0.73 GAA (0.60) GAABACE1KDM4EPOLB

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329558-B2 Method for producing compound containing heterocycle THE UNIVERSITY OF TOKYO (JP) 2019-06-25 US disclosed
US-10197567-B2 Azoline compound and azole compound library and method for producing same THE UNIVERSITY OF TOKYO (JP) 2019-02-05 US disclosed
US-9845326-B2 Substituted 3,4-dihydropyrrolo[1,2-A]pyrazines as beta-secretase (BACE) inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-12-19 US disclosed
US-9840507-B2 5,6-dihydro-imidazo[1,2-a]pyrazin-8-ylamine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, NV (BE) 2017-12-12 US disclosed
EP-2655376-B1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-08-23 EP disclosed
US-9346811-B2 6,7-dihydro-pyrazolo[1,5-a]pyrazin-4-ylamine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-05-24 US disclosed
US-9346811-B2 6,7-dihydro-pyrazolo[1,5-a]pyrazin-4-ylamine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-05-24 US disclosed
US-20160083719-A1 Method for Producing Compound Containing Heterocycle THE UNIVERSITY OF TOKYO (JP) 2016-03-24 US disclosed
US-20140113830-A1 Azoline Compound and Azole Compound Library and Method for Producing Same THE UNIVERSITY OF TOKYO (JP) 2014-04-24 US disclosed
US-20130274266-A1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2013-10-17 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US 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 (8 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 PLK1 1122/4885GAA 374/4885BACE1 3601/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI PLK1 1195/4885GAA 451/4885BACE1 3452/4885
US-20160083719-A1 Method for Producing Compound Containing Heterocycle VIP, DNPEP, PREP PLK1 2690/4885GAA 686/4885BACE1 401/4885
US-10329558-B2 Method for producing compound containing heterocycle VIP, DNPEP, PREP PLK1 2690/4885GAA 686/4885BACE1 401/4885
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA PLK1 4007/4885GAA 602/4885BACE1 3705/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 PLK1 1151/4885GAA 995/4885BACE1 3770/4885
US-20130274266-A1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 PLK1 942/4885GAA 84/4885BACE1 2/4885
US-10197567-B2 Azoline compound and azole compound library and method for producing same PEPD, DAO, ANPEP PLK1 2479/4885GAA 2186/4885BACE1 272/4885

“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.