SCHEMBL3089013

SCHEMBL3089013

CCOC(=O)n1c(C(=O)OC(C)(C)C)cc2cc(B3OC(C)(C)C(C)(C)O3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
AAK1 Q2M2I8 2/20 0.38
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
USP30 Q70CQ3 1/20 0.35
HIF1A Q16665 3/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
DGAT1 O75907 1/20 0.34
UCHL1 P09936 1/20 0.33
ROCK1 Q13464 1/20 0.32
LPL P06858 3/20 0.32
LIPG Q9Y5X9 3/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
F2 P00734 1/20 0.32
F11 P03951 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32

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
SCHEMBL3450160 0.93 NOD2 (0.39) PRMT5WDR77AAK1NOD2NOD1
SCHEMBL3076889 0.92 PRMT5 (0.38) PRMT5WDR77AAK1NOD2NOD1
SCHEMBL13348212 0.85 USP30 (0.40) PRMT5WDR77AAK1USP30HIF1A
SCHEMBL13144338 0.85 NOD2 (0.39) PRMT5WDR77AAK1NOD2NOD1
SCHEMBL1565096 0.83 USP30 (0.39) PRMT5WDR77AAK1USP30HIF1A
SCHEMBL22724916 0.81 USP30 (0.40) PRMT5WDR77AAK1USP30HIF1A
SCHEMBL17206150 0.78 MAPT (0.45) NOD2NOD1HIF1AUCHL1LPL
SCHEMBL3091728 0.78 LMNA (0.49) NOD2NOD1
SCHEMBL3451480 0.77 USP30 (0.40) PRMT5WDR77AAK1USP30HIF1A
SCHEMBL29504435 0.77 USP30 (0.40) PRMT5WDR77AAK1USP30HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
EP-2176256-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2010-04-21 EP disclosed
WO-2009007751-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 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-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, PIK3CD PRMT5 2283/4885WDR77 1002/4885AAK1 932/4885

“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.