SCHEMBL3818753

SCHEMBL3818753

NCC1CCC(Cc2nc(NCc3cccc(Cl)c3F)nc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 20/20 0.48
DCLK1 O15075 1/20 0.48
MAP4K4 O95819 1/20 0.48
CDK1 P06493 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
PIM1 P11309 1/20 0.48
CYP2C9 P11712 1/20 0.48
PRKACA P17612 1/20 0.48
CDK2 P24941 1/20 0.48
MATK P42679 1/20 0.48
FRK P42685 1/20 0.48
CSNK1D P48730 1/20 0.48
CLK2 P49760 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
IRAK1 P51617 1/20 0.48
RPS6KA3 P51812 1/20 0.48
CDK5 Q00535 1/20 0.48
PRKCD Q05655 1/20 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
SCHEMBL4475836 0.93 PRKCQ (0.40) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL3813258 0.92 PRKCQ (0.57) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL3815042 0.92 PRKCQ (0.57) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL3821000 0.92 PRKCQ (0.57) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL3817165 0.90 PRKCQ (0.59) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL3818082 0.88 PRKCQ (0.49) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL3817776 0.88 PRKCQ (0.56) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL3814282 0.87 PRKCQ (0.48) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL3812892 0.86 PRKCQ (0.49) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL4477250 0.86 PRKCQ (0.48) PRKCQDCLK1MAP4K4CDK1CYP3A4

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
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
EP-3706776-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR Epiaxis Therapeutics Pty Ltd (AU) 2020-09-16 EP 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 PRKCQ 1/4885DCLK1 260/4885MAP4K4 1113/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885DCLK1 397/4885MAP4K4 1735/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD PRKCQ 2/4885DCLK1 564/4885MAP4K4 483/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH PRKCQ 2/4885DCLK1 679/4885MAP4K4 516/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885DCLK1 397/4885MAP4K4 1735/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885DCLK1 260/4885MAP4K4 1113/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885DCLK1 260/4885MAP4K4 1113/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885DCLK1 260/4885MAP4K4 1113/4885

“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.