SCHEMBL3821604

SCHEMBL3821604

NCC1CCC(Cc2nc(Nc3cccc4ccccc34)nc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ATM Q13315 2/20 0.45
RAB9A P51151 2/20 0.42
MAPT P10636 10/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
POLB P06746 1/20 0.41
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
BLM P54132 1/20 0.41
HTT P42858 1/20 0.39
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3813778 0.87 MEN1 (0.41) MEN1KMT2AATMRAB9AMAPT
SCHEMBL3814020 0.86 PRKCQ (0.44) MAPTCDK5GSK3AGSK3BPRKCQ
SCHEMBL3812442 0.83 MEN1 (0.45) MEN1KMT2AATMRAB9AMAPT
SCHEMBL3818213 0.81 ANO1 (0.41) MEN1KMT2AATMMAPTL3MBTL1
SCHEMBL3813570 0.79 PRKCQ (0.54) MEN1KMT2AATMRAB9AMAPT
SCHEMBL3813101 0.78 MAPT (0.47) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL4490150 0.78 MAPT (0.42) MEN1KMT2AATMMAPTL3MBTL1
SCHEMBL3815849 0.78 PRKCQ (0.55) MEN1KMT2AATMRAB9AMAPT
SCHEMBL3812825 0.78 KMT2A (0.57) KMT2ARAB9AMAPTNPC1POLB
SCHEMBL3812439 0.78 PRKCQ (0.57) MAPTCDK5GSK3AGSK3BPRKCQ

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 11 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
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 MEN1 4000/4885KMT2A 919/4885ATM 773/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH MEN1 3695/4885KMT2A 73/4885ATM 1243/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD MEN1 4109/4885KMT2A 2751/4885ATM 1203/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH MEN1 3100/4885KMT2A 1962/4885ATM 758/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH MEN1 3695/4885KMT2A 73/4885ATM 1243/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG MEN1 4000/4885KMT2A 919/4885ATM 773/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG MEN1 4000/4885KMT2A 919/4885ATM 773/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG MEN1 4000/4885KMT2A 919/4885ATM 773/4885

“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.