SCHEMBL3986593

SCHEMBL3986593

NCC1CCC(CNc2cc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 20/20 0.69
CYP3A4 P08684 4/20 0.69
CYP2C9 P11712 4/20 0.69
CYP2D6 P10635 3/20 0.69
MAP4K4 O95819 2/20 0.69
CDK1 P06493 2/20 0.69
PIM1 P11309 2/20 0.69
CDK2 P24941 2/20 0.69
CSNK1D P48730 2/20 0.69
CLK2 P49760 2/20 0.69
GSK3A P49840 2/20 0.69
GSK3B P49841 2/20 0.69
IRAK1 P51617 2/20 0.69
RPS6KA3 P51812 2/20 0.69
CDK5 Q00535 2/20 0.69
PRKCD Q05655 2/20 0.69
PRKAA1 Q13131 2/20 0.69
STK3 Q13188 2/20 0.69
CAMK2B Q13554 2/20 0.69
CAMK2G Q13555 2/20 0.69

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
SCHEMBL3987070 0.94 PRKCQ (0.70) PRKCQCYP3A4CYP2C9CYP2D6MAP4K4
SCHEMBL13846550 0.89 PRKCQ (0.57) PRKCQCYP3A4CYP2C9CYP2D6MAP4K4
SCHEMBL3993191 0.85 PRKCQ (0.72) PRKCQCYP3A4CYP2C9CYP2D6MAP4K4
SCHEMBL3986930 0.85 PRKCQ (0.72) PRKCQCYP3A4CYP2C9CYP2D6MAP4K4
SCHEMBL13846476 0.84 PRKCQ (0.60) PRKCQCYP3A4CYP2C9CYP2D6MAP4K4
SCHEMBL3984172 0.82 PRKCQ (0.60) PRKCQCYP3A4CYP2C9CYP2D6MAP4K4
SCHEMBL3986902 0.82 PRKCQ (0.52) PRKCQCYP3A4CYP2C9CYP2D6MAP4K4
SCHEMBL1917079 0.82 PRKCQ (1.00) PRKCQCYP3A4CYP2C9CYP2D6MAP4K4
SCHEMBL3992715 0.82 PRKCQ (0.67) PRKCQCYP3A4CYP2C9CYP2D6MAP4K4
SCHEMBL3987346 0.80 PRKCQ (0.54) PRKCQCYP3A4CYP2C9CYP2D6MAP4K4

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 19 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
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
CN-111587120-A Immunogenic compositions and uses thereof 艾比克斯治疗私人有限公司 2020-08-25 CN 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-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-20090291073-A1 Compositions Comprising PKC-theta and Methods for Treating or Controlling Ophthalmic Disorders Using Same BAUSCH & LOMB INCORPORATED 2009-11-26 US disclosed
EP-1866286-B1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-27 EP disclosed
EP-1866286-B1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-27 EP disclosed
US-7468382-B2 Pyridine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-23 US disclosed
US-7468382-B2 Pyridine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-23 US disclosed
EP-1866286-A1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-12-19 EP disclosed
WO-2006105023-A1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 WO disclosed
US-20060217417-A1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-09-28 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 (9 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 1/4885CYP3A4 4784/4885CYP2C9 4469/4885
US-20090291073-A1 Compositions Comprising PKC-theta and Methods for Treating or Controlling Ophthalmic Disorders Using Same PRKCQ, PRKCH, PRKCG PRKCQ 1/4885CYP3A4 4799/4885CYP2C9 4815/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885CYP3A4 4544/4885CYP2C9 4777/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH PRKCQ 2/4885CYP3A4 4826/4885CYP2C9 4881/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885CYP3A4 4544/4885CYP2C9 4777/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885CYP3A4 4784/4885CYP2C9 4469/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885CYP3A4 4784/4885CYP2C9 4469/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG PRKCQ 1/4885CYP3A4 4784/4885CYP2C9 4469/4885
US-20060217417-A1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCQ, PRKCH, PRKCZ PRKCQ 1/4885CYP3A4 1870/4885CYP2C9 2184/4885

“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.