SCHEMBL3855276

SCHEMBL3855276

CN(C(=O)O)[C@H]1CC[C@H](CNc2ncc3[nH]c(=O)n(Cc4cc(Cl)ccc4Cl)c3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.39
TYRO3 Q06418 3/20 0.39
SELP P16109 2/20 0.39
USP1 O94782 5/20 0.38
GPR6 P46095 1/20 0.38
VCP P55072 4/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CHEK1 O14757 1/20 0.35
IKBKB O14920 1/20 0.35
AURKA O14965 1/20 0.35
PAK4 O96013 1/20 0.35
CHEK2 O96017 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
INSR P06213 1/20 0.35
LCK P06239 1/20 0.35
FGFR1 P11362 1/20 0.35
CSNK2A2 P19784 1/20 0.35

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
SCHEMBL3855274 0.88 PRKCQ (0.41) PRKCQTYRO3SELPUSP1GPR6
SCHEMBL3844896 0.87 USP1 (0.40) PRKCQTYRO3SELPUSP1GPR6
SCHEMBL3844899 0.87 USP1 (0.40) PRKCQTYRO3SELPUSP1GPR6
SCHEMBL13608105 0.85 PRKCQ (0.53) PRKCQCYP3A4CYP2D6CYP2C9CDK2
SCHEMBL3846527 0.85 PRKCQ (0.45) PRKCQGPR6CYP3A4CYP2D6CYP2C9
SCHEMBL3849036 0.85 PRKCQ (0.53) PRKCQCYP3A4CYP2D6CYP2C9CDK2
SCHEMBL13608111 0.85 PRKCQ (0.45) PRKCQGPR6CYP3A4CYP2D6CYP2C9
SCHEMBL13608144 0.85 PRKCQ (0.45) PRKCQGPR6CYP3A4CYP2D6CYP2C9
SCHEMBL13608128 0.85 PRKCQ (0.53) PRKCQCYP3A4CYP2D6CYP2C9CDK2
SCHEMBL13608107 0.85 PRKCQ (0.45) PRKCQGPR6CYP3A4CYP2D6CYP2C9

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 3/4885TYRO3 2858/4885SELP 4695/4885

“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.