SCHEMBL19867150

SCHEMBL19867150

CC(C)(C)N1CCOCC1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ DPP4 P27487 1/20 0.41
▸ AGTR2 P50052 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ATM Q13315 4/20 0.39
▸ POLB P06746 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL20963070 1.00 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGDPP4
SCHEMBL20963078 1.00 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGDPP4
SCHEMBL13634926 0.80 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBPIK3CGDPP4
SCHEMBL19867145 0.77 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGDPP4
SCHEMBL25733592 0.77 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGDPP4
SCHEMBL24774805 0.76 DAGLA (0.43) —
SCHEMBL351195 0.76 DPP4 (0.46) PIK3CAPIK3CDPIK3CBPIK3CGDPP4
SCHEMBL14995124 0.75 — —
SCHEMBL28625821 0.75 DAGLA (0.47) —
SCHEMBL22959569 0.74 SLC6A2 (0.40) —

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-20210196724-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE ATHENEX, INC. 2021-07-01 — — US disclosed
US-10973828-B2 Biaryl compositions and methods for modulating a kinase cascade ATHENEX, INC. (US) 2021-04-13 — — US disclosed
US-20190125754-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE OAKTREE FUND ADMINISTRATION, LLC 2019-05-02 — — US disclosed
US-20180042934-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE OAKTREE FUND ADMINISTRATION, LLC 2018-02-15 — — 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 (4 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-20180042934-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE PLK1, MAP3K2, TNK2 PIK3CA 188/4885PIK3CD 227/4885PIK3CB 120/4885
US-20190125754-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE PLK1, MAP3K2, TNK2 PIK3CA 188/4885PIK3CD 227/4885PIK3CB 120/4885
US-10973828-B2 Biaryl compositions and methods for modulating a kinase cascade PLK1, MAP3K2, TNK2 PIK3CA 188/4885PIK3CD 227/4885PIK3CB 120/4885
US-20210196724-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE PLK1, MAP3K2, TNK2 PIK3CA 188/4885PIK3CD 227/4885PIK3CB 120/4885

“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.

Send feedback