SCHEMBL3815417

SCHEMBL3815417

CN(C)CC1CCC(Cc2nc(NCc3ccccc3SC(F)(F)F)nc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.49
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK9 P45984 1/20 0.39
CSNK1D P48730 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
IRAK1 P51617 1/20 0.39
RPS6KA3 P51812 1/20 0.39
PLK1 P53350 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK1G2 P78368 1/20 0.39
CDK5 Q00535 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
SCHEMBL3819448 0.91 PRKCQ (0.47) PRKCQCYP3A4CYP2D6CYP2C9PRKD3
SCHEMBL4477890 0.90 PRKCQ (0.52) PRKCQCYP3A4CYP2D6CYP2C9PRKD3
SCHEMBL3815836 0.90 PRKCQ (0.61) PRKCQCYP3A4CYP2D6CYP2C9PRKD3
SCHEMBL3814379 0.87 PRKCQ (0.48) PRKCQCYP3A4CYP2D6CYP2C9PRKD3
SCHEMBL3812494 0.84 PRKCQ (0.44) PRKCQCYP3A4CYP2D6CYP2C9MAPT
SCHEMBL3813503 0.84 PRKCQ (0.44) PRKCQCYP3A4CYP2D6CYP2C9MAPT
SCHEMBL3814964 0.81 LMNA (0.42) PRKCQCYP3A4CYP2C9MAPTLMNA
SCHEMBL3813027 0.81 PRKCQ (0.58) PRKCQCYP3A4CYP2D6CYP2C9PRKD3
SCHEMBL4480049 0.78 MAPT (0.41) PRKCQCYP3A4CYP2D6CYP2C9GSK3A
SCHEMBL4479817 0.78 PRKCQ (0.49) PRKCQGSK3AGSK3BCDK5MAPT

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 12 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
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 1/4885CYP3A4 4784/4885CYP2D6 4582/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885CYP3A4 4544/4885CYP2D6 4561/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD PRKCQ 2/4885CYP3A4 3277/4885CYP2D6 2445/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH PRKCQ 2/4885CYP3A4 4826/4885CYP2D6 4856/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885CYP3A4 4544/4885CYP2D6 4561/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885CYP3A4 4784/4885CYP2D6 4582/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885CYP3A4 4784/4885CYP2D6 4582/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885CYP3A4 4784/4885CYP2D6 4582/4885

“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.