SCHEMBL3852089

SCHEMBL3852089

Nc1cnc(NCC2CCN(C(=O)O)C2)nc1NCc1cc(Br)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 7/20 0.42
TYRO3 Q06418 5/20 0.39
SELP P16109 4/20 0.39
ABL1 P00519 3/20 0.39
EGFR P00533 3/20 0.39
MAPK1 P28482 3/20 0.39
CDK2 P24941 2/20 0.39
CSNK1D P48730 2/20 0.39
GSK3B P49841 2/20 0.39
CHEK1 O14757 1/20 0.39
IKBKB O14920 1/20 0.39
AURKA O14965 1/20 0.39
PAK4 O96013 1/20 0.39
CHEK2 O96017 1/20 0.39
INSR P06213 1/20 0.39
LCK P06239 1/20 0.39
FGFR1 P11362 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CCNA2 P20248 1/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL13608044 0.88 IDO1 (0.48) PRKCQTYRO3SELPABL1EGFR
SCHEMBL3843907 0.88 PRKCQ (0.56) PRKCQCDK2CSNK1DGSK3BCYP3A4
SCHEMBL3849773 0.86 PRKCQ (0.41) PRKCQCYP2C9
SCHEMBL3845823 0.79 PRKCQ (0.41) PRKCQBTKGRIN2BJAK3VNN1
SCHEMBL3847762 0.79 GRIN2B (0.45) CDK2CDK1GRIN2BNTRK1VNN1
SCHEMBL3851085 0.78 PRKCQ (0.39) PRKCQTYRO3SELPABL1EGFR
SCHEMBL3844885 0.78 USP1 (0.36) FGFR1GRIN2BJAK2JAK1JAK3
SCHEMBL13608055 0.77 IDO1 (0.45) PRKCQIRAK1MERTKJAK2JAK3
SCHEMBL13608045 0.77 PRKCQ (0.51) PRKCQCDK2CSNK1DGSK3BCYP3A4
SCHEMBL18986993 0.77 USP30 (0.46) CDK2LCKCCNA2GRIN2B

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 2 patents. 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
WO-2009062059-A2 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-05-14 WO 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.