SCHEMBL3344570

SCHEMBL3344570

COC(=O)c1cc(B(O)O)cnc1OC(C)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
AXL P30530 1/20 0.37
NOX1 Q9Y5S8 4/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
ACACB O00763 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LRRK2 Q5S007 1/20 0.34
TGFBR1 P36897 1/20 0.34
PRKACA P17612 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
PRKX P51817 1/20 0.33
PRKCQ Q04759 1/20 0.33
MST1R Q04912 1/20 0.33

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
SCHEMBL3345810 0.83 LRRK2 (0.43) RORCALDH1A1KDM4EGLAGAA
SCHEMBL3344574 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EGLAGAAAXL
SCHEMBL3348525 0.76 RORC (0.38) RORCALDH1A1KDM4EGLAGAA
SCHEMBL26916604 0.72 JAK2 (0.40)
SCHEMBL26917069 0.72 JAK2 (0.40)
SCHEMBL26916600 0.72 JAK2 (0.40)
SCHEMBL3350903 0.71 ABL1 (0.37) ALDH1A1KDM4EGLAGAATDP1
SCHEMBL19261271 0.70 GAA (0.40) ALDH1A1KDM4EGLAGAACYP46A1
SCHEMBL29042069 0.69 TSHR (0.42) ALDH1A1KDM4EGLAGAA
SCHEMBL3373097 0.68 TBXAS1 (0.47) ALDH1A1KDM4ELMNA

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 5 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
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 RORC 321/4885ALDH1A1 530/4885KDM4E 3882/4885

“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.