SCHEMBL3817367

SCHEMBL3817367

NCC1CCC(Cc2nc(NCc3ccccn3)nc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 1/20 0.43
MAPT P10636 2/20 0.43
PRKCQ Q04759 12/20 0.41
MAP4K4 O95819 2/20 0.40
CDK1 P06493 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
PIM1 P11309 2/20 0.40
CYP2C9 P11712 2/20 0.40
CDK2 P24941 2/20 0.40
CSNK1D P48730 2/20 0.40
CLK2 P49760 2/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
IRAK1 P51617 2/20 0.40
RPS6KA3 P51812 2/20 0.40
CDK5 Q00535 2/20 0.40
PRKCD Q05655 2/20 0.40
PRKAA1 Q13131 2/20 0.40
STK3 Q13188 2/20 0.40

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
SCHEMBL4480565 0.92 MGMT (0.43) MGMTMAPTGSK3AGSK3BCDK5
SCHEMBL4476877 0.84 KMT2A (0.42) MGMTMAPTPRKCQGSK3AGSK3B
SCHEMBL3812439 0.83 PRKCQ (0.57) MAPTPRKCQMAP4K4CDK1CYP3A4
SCHEMBL3817776 0.82 PRKCQ (0.56) MGMTMAPTPRKCQMAP4K4CDK1
SCHEMBL3812415 0.82 PRKCQ (0.56) MAPTPRKCQMAP4K4CDK1CYP3A4
SCHEMBL3812897 0.82 PRKCQ (0.56) MAPTPRKCQMAP4K4CDK1CYP3A4
SCHEMBL3820965 0.82 PRKCQ (0.56) MAPTPRKCQMAP4K4CDK1CYP3A4
SCHEMBL3814020 0.82 PRKCQ (0.44) MAPTPRKCQMAP4K4CDK1CYP3A4
SCHEMBL3812555 0.82 MAPT (0.49) MGMTMAPTPRKCQPOLBSMN1; SMN2
SCHEMBL3813101 0.82 MAPT (0.47) MAPTPRKCQPOLBSMN1; SMN2MAPK1

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 MGMT 2250/4885MAPT 4150/4885PRKCQ 1/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH MGMT 619/4885MAPT 3208/4885PRKCQ 1/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD MGMT 3738/4885MAPT 3514/4885PRKCQ 2/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH MGMT 3249/4885MAPT 2077/4885PRKCQ 2/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH MGMT 619/4885MAPT 3208/4885PRKCQ 1/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG MGMT 2250/4885MAPT 4150/4885PRKCQ 1/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG MGMT 2250/4885MAPT 4150/4885PRKCQ 1/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG MGMT 2250/4885MAPT 4150/4885PRKCQ 1/4885

“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.