SCHEMBL3815033

SCHEMBL3815033

NCC1CCC(Cc2nc(NCCCc3ccccc3)nc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 8/20 0.57
KMT2A Q03164 1/20 0.50
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 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
SCHEMBL3816754 0.97 PRKCQ (0.57) PRKCQKMT2AMAPTLMNAKDM4E
SCHEMBL3812825 0.94 KMT2A (0.57) PRKCQKMT2AMAPTLMNAKDM4E
SCHEMBL4479341 0.86 KMT2A (0.57) PRKCQKMT2AMAPTLMNAKDM4E
SCHEMBL3816247 0.85 PRKCQ (0.57) PRKCQKMT2ANPC1MITFRAB9A
SCHEMBL3819073 0.85 PKM (0.48) PRKCQKMT2AMAPTNPC1MITF
SCHEMBL3815031 0.85 PRKCQ (0.59) PRKCQKMT2AMAPTLMNAKDM4E
SCHEMBL3818551 0.85 SMN1; SMN2 (0.47) PRKCQKMT2AMAPTLMNANPC1
SCHEMBL3812892 0.84 PRKCQ (0.49) PRKCQKMT2AMAPTNPC1MITF
SCHEMBL3812413 0.84 PRKCQ (0.59) PRKCQKMT2AMAPTPOLBNPC1
SCHEMBL3816658 0.84 PRKCQ (0.59) PRKCQKMT2AMAPTNPC1MITF

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 PRKCQ 1/4885KMT2A 919/4885MAPT 4150/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885KMT2A 73/4885MAPT 3208/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD PRKCQ 2/4885KMT2A 2751/4885MAPT 3514/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH PRKCQ 2/4885KMT2A 1962/4885MAPT 2077/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885KMT2A 73/4885MAPT 3208/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885KMT2A 919/4885MAPT 4150/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885KMT2A 919/4885MAPT 4150/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885KMT2A 919/4885MAPT 4150/4885

“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.