SCHEMBL3958101

SCHEMBL3958101

Nc1nc(N)c([N+](=O)[O-])c(Cc2cccc3ccccc23)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 4/20 0.47
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.39
ABL1 P00519 2/20 0.39
SRC P12931 2/20 0.39
PTPN1 P18031 1/20 0.39
RIPK2 O43353 1/20 0.39
PRKD3 O94806 1/20 0.39
FYN P06241 1/20 0.39
PRKACA P17612 1/20 0.39
CDK2 P24941 1/20 0.39
CSK P41240 1/20 0.39
MAPK8 P45983 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1E P49674 1/20 0.39
PRKD1 Q15139 1/20 0.39
MAPK14 Q16539 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39

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
SCHEMBL22400832 0.83 MGMT (0.48) MGMT
SCHEMBL17541238 0.81 MGMT (0.47) MGMTPOLBALDH1A1PRKACA
SCHEMBL3962308 0.80 MGMT (0.46) MGMT
SCHEMBL3813882 0.75 PRKCQ (0.45) CYP3A4
SCHEMBL6224993 0.74 DHFR (0.48) MGMTCYP3A4ALDH1A1TSHR
SCHEMBL27685384 0.73 MGMT (0.41) MGMTCYP3A4ALDH1A1TSHR
SCHEMBL22400828 0.73 NCOA1 (0.46) MGMTCYP3A4
SCHEMBL22400831 0.73 SMN1; SMN2 (0.58) MGMTALDH1A1TSHR
SCHEMBL17541315 0.70 MGMT (0.46) MGMTPOLB
SCHEMBL17541289 0.69 MGMT (0.43) MGMTCYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3046560-B1 STEM CELL MODULATION II EPIAXIS THERAPEUTICS PTY LTD (AU) 2021-01-06 EP disclosed
EP-3706776-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR Epiaxis Therapeutics Pty Ltd (AU) 2020-09-16 EP disclosed
US-10124001-B2 Stem cell modulation II UNIVERSITY OF CANBERRA (AU) 2018-11-13 US disclosed
US-20160354367-A1 Stem Cell Modulation II UNIVERSITY OF CANBERRA (AU) 2016-12-08 US disclosed
EP-3046560-A1 STEM CELL MODULATION II University of Canberra (AU) 2016-07-27 EP disclosed
WO-2015039187-A1 STEM CELL MODULATION II UNIVERSITY OF CANBERRA (AU) 2015-03-26 WO disclosed
US-7550473-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-09 US 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 (3 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-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCQ, PRKCZ, PRKCH MGMT 3384/4885POLB 181/4885CYP3A4 2949/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG MGMT 2250/4885POLB 2242/4885CYP3A4 4784/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG MGMT 2250/4885POLB 2242/4885CYP3A4 4784/4885

“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.