SCHEMBL3816822

SCHEMBL3816822

CN(C)Cc1ccc(Cc2nc(NCc3cccc4ccccc34)nc(N)c2[N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 8/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 3/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
BLM P54132 3/20 0.38
CYP1A2 P05177 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAD52 P43351 1/20 0.38
ATM Q13315 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3813012 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLMNAHPGDALDH1A1
SCHEMBL3814964 0.83 LMNA (0.42) SMN1; SMN2MAPTLMNAHPGDALDH1A1
SCHEMBL3812494 0.79 PRKCQ (0.44) SMN1; SMN2MAPTLMNAHPGDALDH1A1
SCHEMBL3813503 0.79 PRKCQ (0.44) SMN1; SMN2MAPTLMNAHPGDALDH1A1
SCHEMBL3812452 0.77 PRKCQ (0.55) SMN1; SMN2MAPTLMNAHPGDPOLB
SCHEMBL4490150 0.74 MAPT (0.42) SMN1; SMN2MAPTLMNAHPGDALDH1A1
SCHEMBL3814020 0.74 PRKCQ (0.44) MAPTCYP3A4CYP2C9
SCHEMBL3814996 0.74 MAPT (0.41) SMN1; SMN2MAPTLMNAHPGDALDH1A1
SCHEMBL13794848 0.72 PRKCQ (0.61) CYP3A4CYP2C9
SCHEMBL3958101 0.71 MGMT (0.47) ALDH1A1POLBCYP3A4

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 SMN1; SMN2 4262/4885MAPT 4150/4885LMNA 4030/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH SMN1; SMN2 4654/4885MAPT 3208/4885LMNA 3351/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD SMN1; SMN2 3661/4885MAPT 3514/4885LMNA 2488/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH SMN1; SMN2 4592/4885MAPT 2077/4885LMNA 3840/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH SMN1; SMN2 4654/4885MAPT 3208/4885LMNA 3351/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG SMN1; SMN2 4262/4885MAPT 4150/4885LMNA 4030/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG SMN1; SMN2 4262/4885MAPT 4150/4885LMNA 4030/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG SMN1; SMN2 4262/4885MAPT 4150/4885LMNA 4030/4885

“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.