SCHEMBL3813503

SCHEMBL3813503

CN(C)C[C@H]1CC[C@@H](Cc2nc(NCc3cccc4ccccc34)nc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
NPY5R Q15761 2/20 0.42
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 5/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
POLB P06746 2/20 0.36
BLM P54132 2/20 0.36
RAD52 P43351 1/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL3812494 1.00 PRKCQ (0.44) PRKCQCYP3A4CYP2D6CYP2C9NPY5R
SCHEMBL4490150 0.89 MAPT (0.42) PRKCQCYP3A4CYP2D6CYP2C9NPY5R
SCHEMBL3814020 0.89 PRKCQ (0.44) PRKCQCYP3A4CYP2D6CYP2C9MAPT
SCHEMBL3819448 0.87 PRKCQ (0.47) PRKCQCYP3A4CYP2D6CYP2C9MAPT
SCHEMBL3814996 0.86 MAPT (0.41) NPY5RMAPTSMN1; SMN2LMNAHPGD
SCHEMBL3815417 0.84 PRKCQ (0.49) PRKCQCYP3A4CYP2D6CYP2C9MAPT
SCHEMBL4480049 0.81 MAPT (0.41) PRKCQCYP3A4CYP2D6CYP2C9MAPT
SCHEMBL3816822 0.79 SMN1; SMN2 (0.44) CYP3A4CYP2C9MAPTSMN1; SMN2LMNA
SCHEMBL4484863 0.79 PRKCQ (0.47) PRKCQMAPTSMN1; SMN2LMNAHPGD
SCHEMBL3820965 0.79 PRKCQ (0.56) PRKCQCYP3A4CYP2D6CYP2C9MAPT

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 PRKCQ 1/4885CYP3A4 4784/4885CYP2D6 4582/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885CYP3A4 4544/4885CYP2D6 4561/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD PRKCQ 2/4885CYP3A4 3277/4885CYP2D6 2445/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH PRKCQ 2/4885CYP3A4 4826/4885CYP2D6 4856/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885CYP3A4 4544/4885CYP2D6 4561/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885CYP3A4 4784/4885CYP2D6 4582/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885CYP3A4 4784/4885CYP2D6 4582/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885CYP3A4 4784/4885CYP2D6 4582/4885

“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.