SCHEMBL3820875

SCHEMBL3820875

Cc1ccc(F)c(CNc2nc(N)c([N+](=O)[O-])c(CC3CCC(CN)CC3)n2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 11/20 0.42
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PKM P14618 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 1/20 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
SCHEMBL4487480 0.93 MAPT (0.38) PRKCQGSK3AGSK3BMAPTCYP1A2
SCHEMBL3816362 0.93 PRKCQ (0.44) PRKCQGSK3AGSK3BMAPTCYP3A4
SCHEMBL3817319 0.88 PRKCQ (0.39) PRKCQGSK3AGSK3BMAPTCYP1A2
SCHEMBL3815849 0.86 PRKCQ (0.55) PRKCQMAPTCYP1A2PKM
SCHEMBL3824064 0.84 CYP1A2 (0.44) PRKCQMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL3812348 0.84 PRKCQ (0.44) PRKCQGSK3AGSK3BMAPTCYP3A4
SCHEMBL3816425 0.84 PRKCQ (0.49) PRKCQGSK3AGSK3BMAPTCYP3A4
SCHEMBL3813698 0.83 PRKCQ (0.50) PRKCQGSK3AGSK3BMAPTCYP3A4
SCHEMBL3820936 0.83 PRKCQ (0.42) PRKCQGSK3AGSK3BMAPTCYP1A2
SCHEMBL3815460 0.82 PRKCQ (0.47) PRKCQGSK3AGSK3BMAPTCYP1A2

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 14 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
EP-3706776-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR Epiaxis Therapeutics Pty Ltd (AU) 2020-09-16 EP 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 1/4885GSK3A 71/4885GSK3B 68/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885GSK3A 59/4885GSK3B 53/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD PRKCQ 2/4885GSK3A 68/4885GSK3B 69/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH PRKCQ 2/4885GSK3A 19/4885GSK3B 15/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885GSK3A 59/4885GSK3B 53/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885GSK3A 71/4885GSK3B 68/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885GSK3A 71/4885GSK3B 68/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885GSK3A 71/4885GSK3B 68/4885

“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.