SCHEMBL3814716

SCHEMBL3814716

NCC1CCC(Cc2nc(NCc3c(Cl)cccc3Oc3ccccc3)nc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMOX Q9NWM0 2/20 0.46
KDM1A O60341 2/20 0.46
RCOR1 Q9UKL0 2/20 0.46
PRKCQ Q04759 9/20 0.41
DCLK1 O15075 1/20 0.41
MAP4K4 O95819 1/20 0.41
CDK1 P06493 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PIM1 P11309 1/20 0.41
CYP2C9 P11712 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
MATK P42679 1/20 0.41
FRK P42685 1/20 0.41
CSNK1D P48730 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK1 P51617 1/20 0.41

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
SCHEMBL3812348 0.85 PRKCQ (0.44) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL3817621 0.83 PRKCQ (0.46) PRKCQGSK3AGSK3BCDK5MAPT
SCHEMBL3815042 0.82 PRKCQ (0.57) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL3813258 0.82 PRKCQ (0.57) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL3818753 0.81 PRKCQ (0.48) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL3815849 0.80 PRKCQ (0.55) PRKCQMAPTL3MBTL1POLBLMNA
SCHEMBL3817165 0.80 PRKCQ (0.59) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL3812892 0.80 PRKCQ (0.49) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL3816614 0.79 PRKCQ (0.58) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL3817319 0.79 PRKCQ (0.39) 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 10 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-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor EpiAxis Therapeutics Pty Ltd. (AU) 2017-09-21 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 (6 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 SMOX 3419/4885KDM1A 1632/4885RCOR1 1591/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH SMOX 1550/4885KDM1A 44/4885RCOR1 1122/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD SMOX 2271/4885KDM1A 2901/4885RCOR1 3971/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH SMOX 4724/4885KDM1A 1017/4885RCOR1 1227/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH SMOX 1550/4885KDM1A 44/4885RCOR1 1122/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG SMOX 3419/4885KDM1A 1632/4885RCOR1 1591/4885

“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.