SCHEMBL3818213

SCHEMBL3818213

COc1cc(Nc2nc(N)c([N+](=O)[O-])c(CC3CCC(CN)CC3)n2)cc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.41
ANO2 Q9NQ90 1/20 0.41
MAPT P10636 12/20 0.41
BLM P54132 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
ATM Q13315 3/20 0.41
GSK3A P49840 3/20 0.40
GSK3B P49841 3/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
NR1I2 O75469 1/20 0.40
AHR P35869 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PRKCQ Q04759 1/20 0.39
POLB P06746 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
SCHEMBL3812442 0.84 MEN1 (0.45) MAPTBLMNPSR1MAPK1L3MBTL1
SCHEMBL3821604 0.81 MEN1 (0.45) MAPTBLMNPSR1MAPK1L3MBTL1
SCHEMBL3816614 0.80 PRKCQ (0.58) MAPTBLMKMT2AATMGSK3A
SCHEMBL3817621 0.79 PRKCQ (0.46) MAPTBLMNPSR1MAPK1L3MBTL1
SCHEMBL3819088 0.78 MAPT (0.42) MAPTBLMNPSR1MAPK1L3MBTL1
SCHEMBL3815999 0.78 PRKCQ (0.50) MAPTBLMNPSR1RECQLKMT2A
SCHEMBL3813778 0.77 MEN1 (0.41) MAPTBLMNPSR1MAPK1L3MBTL1
SCHEMBL3818767 0.76 PRKCQ (0.46) MAPTBLMNPSR1MAPK1L3MBTL1
SCHEMBL3813880 0.76 PRKCQ (0.51) MAPTNPSR1GSK3AGSK3BCDK5
SCHEMBL3818184 0.76 MAPT (0.47) MAPTBLMNPSR1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590334-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMA (US) 2009-08-19 EP claimed
EP-1590334-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-11-02 EP claimed
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-12-02 US claimed
WO-2004067516-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-08-12 WO claimed
EP-3046560-B1 STEM CELL MODULATION II EPIAXIS THERAPEUTICS PTY LTD (AU) 2021-01-06 EP disclosed
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor EpiAxis Therapeutics Pty Ltd. (AU) 2020-09-17 US disclosed
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR EPIAXIS THERAPEUTICS PTY LTD (AU) 2020-09-10 US disclosed
US-10736892-B2 Stem cell modulation II EpiAxis Therapeutics Pty Ltd. (AU) 2020-08-11 US disclosed
US-20190192509-A1 Stem Cell Modulation II EpiAxis Therapeutics Pty Ltd. (AU) 2019-06-27 US disclosed
US-10124001-B2 Stem cell modulation II UNIVERSITY OF CANBERRA (AU) 2018-11-13 US disclosed
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor EpiAxis Therapeutics Pty Ltd. (AU) 2017-09-21 US disclosed
EP-3185858-A1 COMPOSITIONS FOR MODULATING CANCER STEM CELLS AND USES THEREFOR University of Canberra (AU) 2017-07-05 EP disclosed
US-20160354367-A1 Stem Cell Modulation II UNIVERSITY OF CANBERRA (AU) 2016-12-08 US disclosed
WO-2016029262-A1 COMPOSITIONS FOR MODULATING CANCER STEM CELLS AND USES THEREFOR UNIVERSITY OF CANBERRA (AU) 2016-03-03 WO disclosed
EP-1590334-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMA (US) 2009-08-19 EP 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-10736892-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG ANO1 4141/4885ANO2 3474/4885MAPT 4150/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH ANO1 3828/4885ANO2 4228/4885MAPT 3208/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD ANO1 4255/4885ANO2 4009/4885MAPT 3514/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH ANO1 2383/4885ANO2 3558/4885MAPT 2077/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH ANO1 3828/4885ANO2 4228/4885MAPT 3208/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG ANO1 4141/4885ANO2 3474/4885MAPT 4150/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG ANO1 4141/4885ANO2 3474/4885MAPT 4150/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG ANO1 4141/4885ANO2 3474/4885MAPT 4150/4885

“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.