SCHEMBL3816376

SCHEMBL3816376

C[C@@H](Nc1nc(N)c([N+](=O)[O-])c(CC2CCC(CN)CC2)n1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.55
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 6/20 0.38
TDP1 Q9NUW8 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
BLM P54132 1/20 0.38
CDK5 Q00535 1/20 0.38
ATM Q13315 1/20 0.38
CDK5R1 Q15078 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3812476 1.00 PRKCQ (0.55) PRKCQMEN1KMT2AMAPTTDP1
SCHEMBL3818594 0.87 PRKCQ (0.45) PRKCQMEN1KMT2AMAPTGSK3A
SCHEMBL3813181 0.82 PRKCQ (0.55) PRKCQMEN1KMT2AMAPTGSK3A
SCHEMBL6000091 0.80 MAPT (0.42) MEN1KMT2AMAPTTDP1GSK3A
SCHEMBL3812825 0.79 KMT2A (0.57) PRKCQKMT2AMAPTLMNAHPGD
SCHEMBL3820965 0.78 PRKCQ (0.56) PRKCQMAPTGSK3AGSK3BCDK5
SCHEMBL3812558 0.78 MEN1 (0.38) PRKCQMEN1KMT2AMAPTGSK3A
SCHEMBL3813570 0.78 PRKCQ (0.54) PRKCQMEN1KMT2AMAPTGSK3A
SCHEMBL3815033 0.78 PRKCQ (0.57) PRKCQKMT2AMAPTLMNAHPGD
SCHEMBL3812642 0.77 PRKCQ (0.42) PRKCQMEN1KMT2AMAPTTDP1

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 11 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
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-12-02 US 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
US-20160354367-A1 Stem Cell Modulation II UNIVERSITY OF CANBERRA (AU) 2016-12-08 US 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 PRKCQ 1/4885MEN1 4000/4885KMT2A 919/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885MEN1 3695/4885KMT2A 73/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD PRKCQ 2/4885MEN1 4109/4885KMT2A 2751/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH PRKCQ 2/4885MEN1 3100/4885KMT2A 1962/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885MEN1 3695/4885KMT2A 73/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885MEN1 4000/4885KMT2A 919/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885MEN1 4000/4885KMT2A 919/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885MEN1 4000/4885KMT2A 919/4885

“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.