SCHEMBL3817636

SCHEMBL3817636

NCCCCCc1nc(NCc2ccccc2Cl)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.54
MAPT P10636 4/20 0.45
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
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
SCHEMBL3817617 1.00 PRKCQ (0.54) PRKCQMAPTMAPK1L3MBTL1DCLK1
SCHEMBL3822537 1.00 PRKCQ (0.54) PRKCQMAPTMAPK1L3MBTL1DCLK1
SCHEMBL3820688 0.88 PRKCQ (0.43) PRKCQMAPTMAPK1GSK3AGSK3B
SCHEMBL3815740 0.88 MAPT (0.45) PRKCQMAPTMAPK1L3MBTL1CDK5
SCHEMBL3812452 0.81 PRKCQ (0.55) PRKCQMAPTMAPK1L3MBTL1DCLK1
SCHEMBL3913826 0.79 MAPT (0.57) MAPTMAPK1L3MBTL1GSK3AGSK3B
SCHEMBL4477250 0.77 PRKCQ (0.48) PRKCQMAPTMAPK1L3MBTL1DCLK1
SCHEMBL3813347 0.77 PRKCQ (0.58) PRKCQMAPTMAPK1L3MBTL1DCLK1
SCHEMBL3812892 0.75 PRKCQ (0.49) PRKCQMAPTDCLK1MAP4K4CDK1
SCHEMBL3815042 0.73 PRKCQ (0.57) PRKCQMAPTDCLK1MAP4K4CDK1

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
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
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR EPIAXIS THERAPEUTICS PTY LTD (AU) 2020-09-10 US disclosed
CN-111587120-A Immunogenic compositions and uses thereof 艾比克斯治疗私人有限公司 2020-08-25 CN 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

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 1/4885MAPT 4150/4885MAPK1 1446/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885MAPT 3208/4885MAPK1 1507/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD PRKCQ 2/4885MAPT 3514/4885MAPK1 429/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH PRKCQ 2/4885MAPT 2077/4885MAPK1 276/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885MAPT 3208/4885MAPK1 1507/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885MAPT 4150/4885MAPK1 1446/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885MAPT 4150/4885MAPK1 1446/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885MAPT 4150/4885MAPK1 1446/4885

“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.