SCHEMBL4479422

SCHEMBL4479422

NC(=O)c1cccc(CNc2ncc([N+](=O)[O-])c(NC[C@H]3CC[C@H](N)CC3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 20/20 0.67
DCLK1 O15075 1/20 0.54
MAP4K4 O95819 1/20 0.54
CDK1 P06493 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
PIM1 P11309 1/20 0.54
CYP2C9 P11712 1/20 0.54
PRKACA P17612 1/20 0.54
CDK2 P24941 1/20 0.54
MATK P42679 1/20 0.54
FRK P42685 1/20 0.54
CSNK1D P48730 1/20 0.54
CLK2 P49760 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
IRAK1 P51617 1/20 0.54
RPS6KA3 P51812 1/20 0.54
CDK5 Q00535 1/20 0.54
PRKCD Q05655 1/20 0.54

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
SCHEMBL4479431 1.00 PRKCQ (0.67) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL13671836 0.88 PRKCQ (0.70) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL13671796 0.87 PRKCQ (0.71) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL13671807 0.87 PRKCQ (0.86) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL13671808 0.86 PRKCQ (0.86) PRKCQ
SCHEMBL13671806 0.86 PRKCQ (0.86) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL13671774 0.86 PRKCQ (0.70) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL13671799 0.86 PRKCQ (0.85) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL4467839 0.85 PRKCQ (0.65) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL4467845 0.85 PRKCQ (0.65) PRKCQDCLK1MAP4K4CDK1CYP3A4

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
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US claimed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 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 (2 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885DCLK1 647/4885MAP4K4 407/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885DCLK1 647/4885MAP4K4 407/4885

“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.