SCHEMBL803049

SCHEMBL803049

CC(C)(C)N1Cc2cccnc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.45
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
ABL1 P00519 1/20 0.36
PLCG1 P19174 1/20 0.36
CES1 P23141 1/20 0.36
PAX8 Q06710 1/20 0.36
RIN1 Q13671 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
PIK3CG P48736 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PTPRC P08575 2/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
PTPN13 Q12923 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
SCHEMBL803066 0.84 HTR1A (0.40) ADAM17CHRM2HTR1ACHRM1DRD2
SCHEMBL25774847 0.77 ADAM17 (0.45) ADAM17TDP2NSD2ABL1PLCG1
SCHEMBL29431445 0.77 ADAM17 (0.48) ADAM17TDP2NSD2ABL1PLCG1
SCHEMBL12573365 0.77 ADAM17 (0.48) ADAM17TDP2NSD2ABL1PLCG1
SCHEMBL21117698 0.76 ADAM17 (0.35) ADAM17HTR1ADRD2HTR2A
SCHEMBL11947805 0.76 ADAM17 (0.54) ADAM17TDP2NSD2ABL1PLCG1
SCHEMBL21847643 0.75 MAPK1 (0.45) ADAM17
SCHEMBL23511769 0.74 ADAM17 (0.45) ADAM17TDP2NSD2ABL1PLCG1
SCHEMBL22021651 0.74 ADAM17 (0.45) ADAM17TDP2NSD2ABL1PLCG1
SCHEMBL21349357 0.73 S100A4 (0.36) PIK3CGS100A4HTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174542-A1 HETEROCYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-08 US disclosed
US-20230174531-A1 SATURATED SPIROCYCLICS AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-08 US disclosed
US-20230174542-A1 HETEROCYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-08 US disclosed
US-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 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 (9 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN ADAM17 2818/4885TDP2 4254/4885NSD2 3130/4885
US-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB ADAM17 3696/4885TDP2 3273/4885NSD2 2039/4885
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 ADAM17 241/4885TDP2 4110/4885NSD2 4542/4885
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 ADAM17 2015/4885TDP2 2839/4885NSD2 4124/4885
US-20230174542-A1 HETEROCYCLIC ANTIVIRAL AGENTS ACE, SARS1, ACE2 ADAM17 937/4885TDP2 3480/4885NSD2 722/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 ADAM17 145/4885TDP2 3830/4885NSD2 4685/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ADAM17 2818/4885TDP2 4254/4885NSD2 3130/4885
US-20230174531-A1 SATURATED SPIROCYCLICS AS ANTIVIRAL AGENTS ACE, ACE2, PKD1 ADAM17 1066/4885TDP2 4809/4885NSD2 2305/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 ADAM17 3164/4885TDP2 2796/4885NSD2 1678/4885

“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.