SCHEMBL3815460

SCHEMBL3815460

Cc1ccc(F)cc1CNc1nc(N)c([N+](=O)[O-])c(CC2CCC(CN)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 13/20 0.47
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 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
SCHEMBL4480659 0.93 CYP1A2 (0.42) PRKCQCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3819159 0.91 PRKCQ (0.57) PRKCQCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3818311 0.91 PRKCQ (0.57) PRKCQCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3816425 0.89 PRKCQ (0.49) PRKCQCYP3A4CYP2C9MAPTGSK3A
SCHEMBL3812423 0.89 PRKCQ (0.57) PRKCQCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3820936 0.88 PRKCQ (0.42) PRKCQCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3814282 0.88 PRKCQ (0.48) PRKCQCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3813090 0.88 PRKCQ (0.46) PRKCQCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3820965 0.87 PRKCQ (0.56) PRKCQCYP3A4CYP2C9MAPTGSK3A
SCHEMBL3813870 0.86 PRKCQ (0.46) PRKCQCYP1A2CYP3A4CYP2C9CYP2C19

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 15 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
EP-3185858-A1 COMPOSITIONS FOR MODULATING CANCER STEM CELLS AND USES THEREFOR University of Canberra (AU) 2017-07-05 EP disclosed
US-20160354367-A1 Stem Cell Modulation II UNIVERSITY OF CANBERRA (AU) 2016-12-08 US disclosed
WO-2016029262-A1 COMPOSITIONS FOR MODULATING CANCER STEM CELLS AND USES THEREFOR UNIVERSITY OF CANBERRA (AU) 2016-03-03 WO 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 1/4885CYP1A2 4135/4885CYP3A4 4784/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885CYP1A2 4527/4885CYP3A4 4544/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD PRKCQ 2/4885CYP1A2 2251/4885CYP3A4 3277/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH PRKCQ 2/4885CYP1A2 4867/4885CYP3A4 4826/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885CYP1A2 4527/4885CYP3A4 4544/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885CYP1A2 4135/4885CYP3A4 4784/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885CYP1A2 4135/4885CYP3A4 4784/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885CYP1A2 4135/4885CYP3A4 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.