SCHEMBL3816658

SCHEMBL3816658

Cc1ccccc1CCNc1nc(N)c([N+](=O)[O-])c(CC2CCC(CN)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 15/20 0.59
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.39
MAP4K4 O95819 2/20 0.39
CDK1 P06493 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
PIM1 P11309 2/20 0.39
CYP2C9 P11712 2/20 0.39
CDK2 P24941 2/20 0.39
CSNK1D P48730 2/20 0.39
CLK2 P49760 2/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
IRAK1 P51617 2/20 0.39
RPS6KA3 P51812 2/20 0.39
CDK5 Q00535 2/20 0.39
PRKCD Q05655 2/20 0.39
PRKAA1 Q13131 2/20 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
SCHEMBL3820965 0.92 PRKCQ (0.56) PRKCQSMN1; SMN2MAPTMAP4K4CDK1
SCHEMBL3812892 0.89 PRKCQ (0.49) PRKCQKMT2AMAPTMAP4K4CDK1
SCHEMBL3815982 0.89 PRKCQ (0.48) PRKCQKMT2AMAPTMAP4K4CDK1
SCHEMBL3812413 0.89 PRKCQ (0.59) PRKCQKMT2AMAPTNPC1MITF
SCHEMBL3815999 0.88 PRKCQ (0.50) PRKCQKMT2AMAPTCYP3A4CYP2D6
SCHEMBL3812825 0.87 KMT2A (0.57) PRKCQKMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL3814661 0.87 PRKCQ (0.57) PRKCQSMN1; SMN2MAPTMAP4K4CDK1
SCHEMBL3818551 0.86 SMN1; SMN2 (0.47) PRKCQKMT2ASMN1; SMN2MAPTCYP3A4
SCHEMBL4484863 0.85 PRKCQ (0.47) PRKCQKMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL3821325 0.84 PRKCQ (0.49) PRKCQKMT2ASMN1; SMN2MAPTCDK5

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 10 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
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
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 (6 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 1/4885KMT2A 919/4885SMN1; SMN2 4262/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885KMT2A 73/4885SMN1; SMN2 4654/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD PRKCQ 2/4885KMT2A 2751/4885SMN1; SMN2 3661/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH PRKCQ 2/4885KMT2A 1962/4885SMN1; SMN2 4592/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885KMT2A 73/4885SMN1; SMN2 4654/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885KMT2A 919/4885SMN1; SMN2 4262/4885

“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.