SCHEMBL3448303

SCHEMBL3448303

CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1OCCN1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPK10 P53779 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HTT P42858 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
PPARG P37231 1/20 0.37
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR2C P28335 1/20 0.36
UCHL1 P09936 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
GAA P10253 1/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL3448683 0.82 GAA (0.41) MEN1KMT2AALDH1A1MAPK1PPARG
SCHEMBL3449126 0.80 GSK3A (0.36) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL3448831 0.79 OPRK1 (0.46) MEN1KMT2AMAPK10ALDH1A1PPARG
SCHEMBL3450157 0.79 GSK3A (0.38) ALDH1A1LMNAGSK3AGSK3BMAPT
SCHEMBL3450100 0.79 GSK3A (0.36) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL3448579 0.78 UCHL1 (0.38) KMT2AMAPK1GSK3AGSK3BUCHL1
SCHEMBL3450902 0.77 AAK1 (0.40) MEN1KMT2AALDH1A1TDP1GSK3A
SCHEMBL3449001 0.77 GSK3A (0.36) MEN1KMT2AALDH1A1KDM4EGSK3A
SCHEMBL21198942 0.77 GSK3A (0.42) MEN1KMT2AALDH1A1KDM4EGSK3A
SCHEMBL29604376 0.77 GSK3A (0.42) MEN1KMT2AALDH1A1KDM4EGSK3A

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 4 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
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD MEN1 859/4885KMT2A 4408/4885MAPK10 2465/4885

“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.