SCHEMBL3813778

SCHEMBL3813778

NCC1CCC(Cc2nc(Nc3ccc(Cl)c4ccccc34)nc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ATM Q13315 2/20 0.41
CDK5 Q00535 4/20 0.39
CDK5R1 Q15078 3/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
BLM P54132 2/20 0.39
PRKCQ Q04759 6/20 0.39
DCLK1 O15075 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK1 P06493 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PIM1 P11309 1/20 0.39
CYP2C9 P11712 1/20 0.39
PRKACA P17612 1/20 0.39
CDK2 P24941 1/20 0.39
MATK P42679 1/20 0.39
FRK P42685 1/20 0.39

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
SCHEMBL3821604 0.87 MEN1 (0.45) MEN1KMT2AATMCDK5CDK5R1
SCHEMBL3812892 0.79 PRKCQ (0.49) KMT2ACDK5GSK3AGSK3BPRKCQ
SCHEMBL3812442 0.79 MEN1 (0.45) MEN1KMT2AATMCDK5CDK5R1
SCHEMBL3814020 0.78 PRKCQ (0.44) CDK5GSK3AGSK3BPRKCQDCLK1
SCHEMBL3817165 0.78 PRKCQ (0.59) CDK5GSK3AGSK3BPRKCQDCLK1
SCHEMBL3812642 0.78 PRKCQ (0.42) MEN1KMT2AATMCDK5CDK5R1
SCHEMBL3814890 0.77 PRKCQ (0.58) KMT2AATMCDK5GSK3AGSK3B
SCHEMBL3817590 0.77 PRKCQ (0.58) KMT2AATMCDK5GSK3AGSK3B
SCHEMBL3815042 0.77 PRKCQ (0.57) CDK5GSK3AGSK3BPRKCQDCLK1
SCHEMBL3813258 0.77 PRKCQ (0.57) CDK5GSK3AGSK3BPRKCQDCLK1

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
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
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 MEN1 4000/4885KMT2A 919/4885ATM 773/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH MEN1 3695/4885KMT2A 73/4885ATM 1243/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD MEN1 4109/4885KMT2A 2751/4885ATM 1203/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH MEN1 3100/4885KMT2A 1962/4885ATM 758/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH MEN1 3695/4885KMT2A 73/4885ATM 1243/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG MEN1 4000/4885KMT2A 919/4885ATM 773/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG MEN1 4000/4885KMT2A 919/4885ATM 773/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG MEN1 4000/4885KMT2A 919/4885ATM 773/4885

“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.