SCHEMBL3851085

SCHEMBL3851085

C[C@@H](Nc1nc(NCC2CCN(C(=O)O)C2)ncc1N)c1cc(Cl)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 5/20 0.39
TYRO3 Q06418 3/20 0.38
SELP P16109 2/20 0.38
MAPK1 P28482 2/20 0.38
CHEK1 O14757 1/20 0.38
IKBKB O14920 1/20 0.38
AURKA O14965 1/20 0.38
PAK4 O96013 1/20 0.38
CHEK2 O96017 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
FGFR1 P11362 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
AKT1 P31749 1/20 0.38
CSNK1D P48730 1/20 0.38
MAPKAPK2 P49137 1/20 0.38

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
SCHEMBL13608092 0.89 CCNT1 (0.44) SYKBCDIN3D
SCHEMBL3851131 0.88 PRKCQ (0.49) PRKCQCDK2CSNK1DGSK3B
SCHEMBL3851129 0.88 PRKCQ (0.49) PRKCQCDK2CSNK1DGSK3B
SCHEMBL13608094 0.78 PRKCQ (0.45) PRKCQCDK2CSNK1DGSK3BSYK
SCHEMBL3852089 0.78 PRKCQ (0.42) PRKCQTYRO3SELPMAPK1CHEK1
SCHEMBL3852156 0.77 JAK2 (0.40) FGFR1GRIN2BCCR4
SCHEMBL3847762 0.73 GRIN2B (0.45) CDK2GRIN2B
SCHEMBL19665574 0.73 MAPK8 (0.40) PRKCQBTKGRIN2BSYKBCDIN3D
SCHEMBL3845823 0.70 PRKCQ (0.41) PRKCQBTKGRIN2BSYKBCDIN3D
SCHEMBL3843907 0.70 PRKCQ (0.56) PRKCQCDK2CSNK1DGSK3B

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.