SCHEMBL16763550

SCHEMBL16763550

CC(C)(C)OC(=O)N1CCCC(Oc2nccc3ccccc23)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.51
PIK3CA P42336 2/20 0.47
PIK3CB P42338 2/20 0.47
PIK3CG P48736 2/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
CHEK2 O96017 1/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44

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
SCHEMBL16763551 1.00 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGHCRTR1
SCHEMBL5474758 0.94 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGHCRTR1
SCHEMBL5462197 0.87 GPR119 (0.51) PIK3CD
SCHEMBL29862872 0.87 GPR119 (0.51) PIK3CD
SCHEMBL31352390 0.86 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGCHEK2
SCHEMBL2406917 0.81 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGCHEK2
SCHEMBL2406918 0.81 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGCHEK2
SCHEMBL14334436 0.81 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGCHEK2
SCHEMBL23699085 0.80 CYP11B2 (0.46) PIK3CDHCRTR1HCRTR2
SCHEMBL29276170 0.80 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGCHEK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2020-03-12 US disclosed
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2019-04-04 US disclosed
US-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-02-01 US disclosed
US-9656988-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-05-23 US disclosed
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2016-12-08 US disclosed
EP-3077388-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics, LLC (US) 2016-10-12 EP disclosed
US-9382246-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-07-05 US disclosed
WO-2015084998-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2015-06-11 WO disclosed
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-06-11 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 (5 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-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK PIK3CD 121/4885PIK3CA 164/4885PIK3CB 101/4885
US-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK PIK3CD 138/4885PIK3CA 175/4885PIK3CB 105/4885
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK PIK3CD 112/4885PIK3CA 149/4885PIK3CB 95/4885
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK PIK3CD 112/4885PIK3CA 149/4885PIK3CB 95/4885
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK PIK3CD 112/4885PIK3CA 149/4885PIK3CB 95/4885

“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.