SCHEMBL3450160

SCHEMBL3450160

CCOC(=O)c1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.39
NOD1 Q9Y239 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
USP30 Q70CQ3 1/20 0.36
UCHL1 P09936 1/20 0.35
HIF1A Q16665 3/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
NR1H2 P55055 3/20 0.34
DGAT1 O75907 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CACNA1B Q00975 1/20 0.33
MAPT P10636 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
SCHEMBL3089013 0.93 PRMT5 (0.38) NOD2NOD1PRMT5WDR77AAK1
SCHEMBL13144338 0.92 NOD2 (0.39) NOD2NOD1PRMT5WDR77AAK1
SCHEMBL13348212 0.89 USP30 (0.40) PRMT5WDR77AAK1USP30HIF1A
SCHEMBL1565096 0.86 USP30 (0.39) PRMT5WDR77AAK1USP30HIF1A
SCHEMBL3076889 0.85 PRMT5 (0.38) NOD2NOD1PRMT5WDR77AAK1
SCHEMBL22724916 0.84 USP30 (0.40) PRMT5WDR77AAK1USP30HIF1A
SCHEMBL7920031 0.82 UCHL1 (0.36) NOD2NOD1PRMT5WDR77USP30
SCHEMBL17206150 0.82 MAPT (0.45) NOD2NOD1UCHL1HIF1AMEN1
SCHEMBL12042732 0.81 NOD2 (0.52) NOD2NOD1NR1H2MEN1KMT2A
SCHEMBL3451480 0.81 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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US 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 (2 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD NOD2 111/4885NOD1 324/4885PRMT5 3689/4885
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, PIK3CD NOD2 2232/4885NOD1 2594/4885PRMT5 2283/4885

“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.