SCHEMBL3345874

SCHEMBL3345874

COC(=O)c1cc(B(O)O)cnc1OC1CCN(C)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.37
CHEK2 O96017 1/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
HCRTR2 O43614 2/20 0.36
HCRTR1 O43613 1/20 0.36
OPRK1 P41145 3/20 0.35
ATR Q13535 3/20 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
SCHEMBL3342229 0.84 OPRK1 (0.51) OPRK1
SCHEMBL3375645 0.77 ROCK2 (0.41) CHEK1CHEK2PIK3CDPIK3CAPIK3CB
SCHEMBL3350976 0.71 OPRK1 (0.42) OPRK1
SCHEMBL3350903 0.70 ABL1 (0.37)
SCHEMBL19261271 0.69 GAA (0.40)
Hydrochloric Acid SCHEMBL10565376 0.68 SCN1A (0.44)
SCHEMBL29042069 0.68 TSHR (0.42) CHEK2
SCHEMBL10565370 0.67 SCN1A (0.44)
SCHEMBL10563901 0.67 SCN1A (0.43) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3373097 0.67 TBXAS1 (0.47)

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 CHEK1 3477/4885CHEK2 3191/4885PIK3CD 2522/4885

“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.