SCHEMBL3824064

SCHEMBL3824064

Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(CC3CCC(CN)CC3)n2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRKCQ Q04759 11/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3812850 0.87 PRKCQ (0.55) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL3815460 0.85 PRKCQ (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL3812750 0.85 PRKCQ (0.57) CYP1A2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3820552 0.85 PRKCQ (0.57) CYP1A2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3820936 0.84 PRKCQ (0.42) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL4479339 0.84 MAPT (0.42) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL3813101 0.84 MAPT (0.47) CYP1A2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3820875 0.84 PRKCQ (0.42) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL3818311 0.83 PRKCQ (0.57) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL3819566 0.83 MAPT (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MAPT

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 12 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-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 (7 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 CYP1A2 4135/4885CYP3A4 4784/4885CYP2C9 4469/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH CYP1A2 4527/4885CYP3A4 4544/4885CYP2C9 4777/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD CYP1A2 2251/4885CYP3A4 3277/4885CYP2C9 2666/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH CYP1A2 4867/4885CYP3A4 4826/4885CYP2C9 4881/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH CYP1A2 4527/4885CYP3A4 4544/4885CYP2C9 4777/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG CYP1A2 4135/4885CYP3A4 4784/4885CYP2C9 4469/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG CYP1A2 4135/4885CYP3A4 4784/4885CYP2C9 4469/4885

“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.