SCHEMBL3812439

SCHEMBL3812439

NCC1CCC(Cc2nc(NCc3ccccc3[N+](=O)[O-])nc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 19/20 0.57
MAP4K4 O95819 2/20 0.48
CDK1 P06493 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
PIM1 P11309 2/20 0.48
CYP2C9 P11712 2/20 0.48
CDK2 P24941 2/20 0.48
CSNK1D P48730 2/20 0.48
CLK2 P49760 2/20 0.48
GSK3A P49840 2/20 0.48
GSK3B P49841 2/20 0.48
IRAK1 P51617 2/20 0.48
RPS6KA3 P51812 2/20 0.48
CDK5 Q00535 2/20 0.48
PRKCD Q05655 2/20 0.48
PRKAA1 Q13131 2/20 0.48
STK3 Q13188 2/20 0.48
CAMK2B Q13554 2/20 0.48
CAMK2G Q13555 2/20 0.48

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
SCHEMBL3817776 0.89 PRKCQ (0.56) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL3812415 0.89 PRKCQ (0.56) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL3820965 0.89 PRKCQ (0.56) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL3812897 0.89 PRKCQ (0.56) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL3814020 0.88 PRKCQ (0.44) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL3818450 0.87 PRKCQ (0.57) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL3813027 0.87 PRKCQ (0.58) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL3816614 0.87 PRKCQ (0.58) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL3814212 0.87 PRKCQ (0.58) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL3815042 0.85 PRKCQ (0.57) PRKCQMAP4K4CDK1CYP3A4CYP2D6

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 13 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
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 1/4885MAP4K4 1113/4885CDK1 239/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885MAP4K4 1735/4885CDK1 268/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD PRKCQ 2/4885MAP4K4 483/4885CDK1 72/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH PRKCQ 2/4885MAP4K4 516/4885CDK1 368/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885MAP4K4 1735/4885CDK1 268/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885MAP4K4 1113/4885CDK1 239/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885MAP4K4 1113/4885CDK1 239/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885MAP4K4 1113/4885CDK1 239/4885

“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.