SCHEMBL3818862

SCHEMBL3818862

COc1cccc(CNc2nc(N)c([N+](=O)[O-])c(CC3CCC(CN)CC3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.59
MAPT P10636 6/20 0.53
NPSR1 Q6W5P4 2/20 0.53
BLM P54132 2/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ADORA2A P29274 4/20 0.45
ADORA2B P29275 4/20 0.45
ADORA1 P30542 4/20 0.45
ADORA3 P0DMS8 3/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
VCP P55072 1/20 0.42
LMNA P02545 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
SCHEMBL3812387 0.92 PRKCQ (0.51) PRKCQMAPTNPSR1BLMMAPK1
SCHEMBL3821141 0.91 PRKCQ (0.57) PRKCQMAPTNPSR1BLMMAPK1
SCHEMBL3815814 0.89 CCNT1 (0.47) PRKCQMAPTNPSR1BLMMAPK1
SCHEMBL3820552 0.88 PRKCQ (0.57) PRKCQMAPTNPSR1BLMMAPK1
SCHEMBL3812750 0.86 PRKCQ (0.57) PRKCQMAPTBLMMAPK1L3MBTL1
SCHEMBL3816620 0.86 PRKCQ (0.58) PRKCQMAPTBLMMAPK1RECQL
SCHEMBL3813101 0.85 MAPT (0.47) PRKCQMAPTNPSR1BLMMAPK1
SCHEMBL3818767 0.85 PRKCQ (0.46) PRKCQMAPTNPSR1BLMMAPK1
SCHEMBL3818184 0.85 MAPT (0.47) PRKCQMAPTNPSR1BLMMAPK1
SCHEMBL3817621 0.84 PRKCQ (0.46) PRKCQMAPTNPSR1BLMMAPK1

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
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 1/4885MAPT 4150/4885NPSR1 3838/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885MAPT 3208/4885NPSR1 3191/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD PRKCQ 2/4885MAPT 3514/4885NPSR1 3186/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH PRKCQ 2/4885MAPT 2077/4885NPSR1 3965/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885MAPT 3208/4885NPSR1 3191/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885MAPT 4150/4885NPSR1 3838/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885MAPT 4150/4885NPSR1 3838/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885MAPT 4150/4885NPSR1 3838/4885

“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.