SCHEMBL3846527

SCHEMBL3846527

NC1CCC(CNc2ncc3[nH]c(=O)n(Cc4cc(Cl)ccc4Cl)c3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.45
DDR1 Q08345 3/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90B1 P14625 2/20 0.38
TRAP1 Q12931 2/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
DCLK1 O15075 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37
CYP2D6 P10635 1/20 0.37
PIM1 P11309 1/20 0.37
PRKACA P17612 1/20 0.37
CDK2 P24941 1/20 0.37
MATK P42679 1/20 0.37
FRK P42685 1/20 0.37
CSNK1D P48730 1/20 0.37
CLK2 P49760 1/20 0.37

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
SCHEMBL13608107 1.00 PRKCQ (0.45) PRKCQDDR1DPP4DPP8HSP90AA1
SCHEMBL13608111 1.00 PRKCQ (0.45) PRKCQDDR1DPP4DPP8HSP90AA1
SCHEMBL13608144 1.00 PRKCQ (0.45) PRKCQDDR1DPP4DPP8HSP90AA1
SCHEMBL13608105 0.93 PRKCQ (0.53) PRKCQDDR1HSP90AA1HSP90B1TRAP1
SCHEMBL13608128 0.93 PRKCQ (0.53) PRKCQDDR1HSP90AA1HSP90B1TRAP1
SCHEMBL3849036 0.93 PRKCQ (0.53) PRKCQDDR1HSP90AA1HSP90B1TRAP1
SCHEMBL3855274 0.89 PRKCQ (0.41) PRKCQHSP90AA1HSP90B1TRAP1CDK2
SCHEMBL3844896 0.88 USP1 (0.40) PRKCQCDK2CSNK1DGSK3BGPR6
SCHEMBL3844899 0.88 USP1 (0.40) PRKCQCDK2CSNK1DGSK3BGPR6
SCHEMBL13620209 0.87 DDR1 (0.44) PRKCQDDR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 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 (1 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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ PRKCQ 3/4885DDR1 3201/4885DPP4 3354/4885

“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.