SCHEMBL3812558

SCHEMBL3812558

NCC1CCC(Cc2nc(NC3(c4ccccc4)CC3)nc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
ATM Q13315 2/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
BLM P54132 1/20 0.38
MAPT P10636 4/20 0.38
PRKCQ Q04759 9/20 0.38
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3812825 0.79 KMT2A (0.57) KMT2AMAPTPRKCQMAPK1LMNA
SCHEMBL3816376 0.78 PRKCQ (0.55) MEN1KMT2ACDK5CDK5R1ATM
SCHEMBL3813181 0.78 PRKCQ (0.55) MEN1KMT2ACDK5CDK5R1ATM
SCHEMBL3812476 0.78 PRKCQ (0.55) MEN1KMT2ACDK5CDK5R1ATM
SCHEMBL3813570 0.78 PRKCQ (0.54) MEN1KMT2ACDK5CDK5R1ATM
SCHEMBL3815033 0.78 PRKCQ (0.57) KMT2AMAPTPRKCQMAPK1LMNA
SCHEMBL3812439 0.77 PRKCQ (0.57) CDK5GSK3AGSK3BMAPTPRKCQ
SCHEMBL3821604 0.77 MEN1 (0.45) MEN1KMT2ACDK5CDK5R1ATM
SCHEMBL3816754 0.77 PRKCQ (0.57) KMT2AMAPTPRKCQMAPK1LMNA
SCHEMBL3818594 0.77 PRKCQ (0.45) MEN1KMT2ACDK5CDK5R1ATM

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 16 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
US-7550473-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
EP-1590334-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-11-02 EP disclosed
US-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-09 US disclosed
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-12-02 US disclosed
WO-2004067516-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-08-12 WO 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-10736892-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG MEN1 4000/4885KMT2A 919/4885CDK5 72/4885
US-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCQ, PRKCZ, PRKCH MEN1 4069/4885KMT2A 2345/4885CDK5 133/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH MEN1 3695/4885KMT2A 73/4885CDK5 134/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD MEN1 4109/4885KMT2A 2751/4885CDK5 268/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH MEN1 3100/4885KMT2A 1962/4885CDK5 803/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH MEN1 3695/4885KMT2A 73/4885CDK5 134/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG MEN1 4000/4885KMT2A 919/4885CDK5 72/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG MEN1 4000/4885KMT2A 919/4885CDK5 72/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG MEN1 4000/4885KMT2A 919/4885CDK5 72/4885

“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.