SCHEMBL3932265

SCHEMBL3932265

COc1ccnc(NC(C)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 4/20 0.57
MAPK10 P53779 2/20 0.56
GSK3A P49840 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.52
TP53 P04637 1/20 0.51
NR3C2 P08235 2/20 0.50
PIK3C3 Q8NEB9 1/20 0.49
ADORA3 P0DMS8 6/20 0.49
ADORA2B P29275 2/20 0.49
ADORA1 P30542 2/20 0.49
ADORA2A P29274 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GCK P35557 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
PHGDH O43175 1/20 0.48

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
SCHEMBL25404170 0.88 TP53 (0.64) RIOK2MAPK10GSK3AL3MBTL1TP53
SCHEMBL26805734 0.87 L3MBTL1 (0.49) RIOK2MAPK10GSK3AL3MBTL1PIK3C3
SCHEMBL25189182 0.86 RIOK2 (0.60) RIOK2MAPK10GSK3AL3MBTL1TP53
SCHEMBL25402019 0.85 NR3C2 (0.67) RIOK2MAPK10GSK3AL3MBTL1TP53
SCHEMBL22281654 0.84 RIOK2 (0.62) RIOK2MAPK10GSK3AL3MBTL1TP53
SCHEMBL30518614 0.83 AAK1 (0.49) RIOK2L3MBTL1PIK3C3ALDH1A1GCK
SCHEMBL6586141 0.83 GCK (0.50) RIOK2L3MBTL1PIK3C3GCK
SCHEMBL25516915 0.83 RIOK2 (0.48) RIOK2MAPK10GSK3ATP53NR3C2
SCHEMBL14872565 0.83 NPC1 (0.55) L3MBTL1PIK3C3ADORA3SMN1; SMN2GCK
SCHEMBL23988961 0.82 L3MBTL1 (0.47) L3MBTL1PIK3C3GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
EP-3402785-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2018-11-21 EP disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
WO-2017121649-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed
US-8999957-B2 Heterocyclic compounds as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
CN-1918127-B New cyclocompound having 4-pyridylalkylthio group to which substituted or unsubstituted amino group is introduced SANTEN PHARMACEUTICAL CO.,LTD. (JP) 2012-02-15 CN disclosed
EP-2044037-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Gilead Sciences, Inc. (US) 2009-04-08 EP disclosed
WO-2008016522-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-02-07 WO disclosed
CN-1918127-A New cyclocompound having 4-pyridylalkylthio group to which sustituted or unsubstituted amino group is introduced SANTEN PHARMACEUTICAL CO LTD (JP) 2007-02-21 CN 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 (3 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RIOK2 2619/4885MAPK10 1498/4885GSK3A 3009/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 RIOK2 2209/4885MAPK10 3933/4885GSK3A 580/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 RIOK2 2555/4885MAPK10 2739/4885GSK3A 1999/4885

“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.