SCHEMBL3813448

SCHEMBL3813448

NCc1cccc(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 20/20 1.00
CYP3A4 P08684 3/20 0.65
CYP2C9 P11712 3/20 0.65
CYP2D6 P10635 2/20 0.65
DCLK1 O15075 1/20 0.65
MAP4K4 O95819 1/20 0.65
CDK1 P06493 1/20 0.65
PIM1 P11309 1/20 0.65
PRKACA P17612 1/20 0.65
CDK2 P24941 1/20 0.65
MATK P42679 1/20 0.65
FRK P42685 1/20 0.65
CSNK1D P48730 1/20 0.65
CLK2 P49760 1/20 0.65
GSK3A P49840 1/20 0.65
GSK3B P49841 1/20 0.65
IRAK1 P51617 1/20 0.65
RPS6KA3 P51812 1/20 0.65
CDK5 Q00535 1/20 0.65
PRKCD Q05655 1/20 0.65

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
SCHEMBL13720156 0.93 PRKCQ (1.00) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
Ammonia Solution, Strong SCHEMBL3820715 0.87 PRKCQ (0.78) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL6224553 0.82 PRKCQ (0.71) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL3816094 0.80 PRKCQ (1.00) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL13794096 0.80 PRKCQ (1.00) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL13719730 0.80 PRKCQ (1.00) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL1917079 0.78 PRKCQ (1.00) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL4387612 0.77 PRKCQ (0.68) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL13671753 0.76 PRKCQ (0.87) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL13793787 0.76 PRKCQ (1.00) PRKCQCYP3A4CYP2C9CYP2D6DCLK1

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 8 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
US-7550473-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US claimed
US-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-09 US claimed
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-12-02 US claimed
US-10736892-B2 Stem cell modulation II EpiAxis Therapeutics Pty Ltd. (AU) 2020-08-11 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
US-7550473-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 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 (4 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-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCQ, PRKCZ, PRKCH PRKCQ 1/4885CYP3A4 2949/4885CYP2C9 2484/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH PRKCQ 1/4885CYP3A4 4544/4885CYP2C9 4777/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD PRKCQ 2/4885CYP3A4 3277/4885CYP2C9 2666/4885

“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.