SCHEMBL3448579

SCHEMBL3448579

CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1OCCc1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.38
CDC7 O00311 2/20 0.37
DBF4 Q9UBU7 2/20 0.37
NAMPT P43490 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.35
KMT2A Q03164 2/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ROCK2 O75116 1/20 0.35
GCGR P47871 1/20 0.35
DGAT1 O75907 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3348530 0.90 DGAT1 (0.40) KMT2ALPLLIPGROCK2DGAT1
SCHEMBL3449126 0.81 GSK3A (0.36) UCHL1KMT2ADGAT1GSK3AGSK3B
SCHEMBL3450100 0.80 GSK3A (0.36) UCHL1KMT2AMKNK1DGAT1GSK3A
SCHEMBL3450157 0.80 GSK3A (0.38) UCHL1TP53ROCK2DGAT1GSK3A
SCHEMBL3448577 0.79 TSHR (0.44) CDC7DBF4NAMPTL3MBTL1TP53
SCHEMBL3450902 0.78 AAK1 (0.40) UCHL1L3MBTL1TP53KMT2ADGAT1
SCHEMBL3448303 0.78 MEN1 (0.39) UCHL1KMT2AGSK3AGSK3BMAPK1
SCHEMBL21198942 0.77 GSK3A (0.42) UCHL1L3MBTL1KMT2ADGAT1GSK3A
SCHEMBL29604376 0.77 GSK3A (0.42) UCHL1L3MBTL1KMT2ADGAT1GSK3A
SCHEMBL3448994 0.77 UCHL1 (0.38) UCHL1KMT2ADGAT1GSK3AGSK3B

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD UCHL1 4062/4885CDC7 3261/4885DBF4 2255/4885

“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.