SCHEMBL16763899

SCHEMBL16763899

CN(C)C(=O)N[C@@H]1CCCN(c2cnc(C(N)=O)c(Nc3cnn(C4CCN(C5CCCC5)CC4)c3)n2)C1

nearest known ligand 0.93

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 17/20 0.93
▸ BTK Q06187 17/20 0.93
▸ LCK P06239 13/20 0.93
▸ EGFR P00533 11/20 0.90

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
SCHEMBL16764235 1.00 JAK3 (0.93) JAK3BTKLCKEGFR
SCHEMBL16763712 0.96 BTK (1.00) JAK3BTKLCKEGFR
SCHEMBL16764179 0.96 BTK (1.00) JAK3BTKLCKEGFR
SCHEMBL16763776 0.95 BTK (1.00) JAK3BTKLCKEGFR
SCHEMBL16763777 0.95 BTK (1.00) JAK3BTKLCKEGFR
SCHEMBL16763981 0.94 BTK (1.00) JAK3BTKLCKEGFR
SCHEMBL16764206 0.94 BTK (1.00) JAK3BTKLCKEGFR
SCHEMBL16763960 0.90 BTK (1.00) JAK3BTKLCKEGFR
SCHEMBL16764135 0.90 BTK (1.00) JAK3BTKLCKEGFR
SCHEMBL16763840 0.90 BTK (0.90) JAK3BTKLCKEGFR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382246-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-07-05 — — US claimed
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-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-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-02-01 — — 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-9656988-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-05-23 — — 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
US-9382246-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-07-05 — — US disclosed
US-9382246-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-07-05 — — US disclosed
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-06-11 — — US disclosed
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-06-11 — — 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
WO-2015084998-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2015-06-11 — — 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 (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 JAK3 53/4885BTK 1/4885LCK 3/4885
US-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK JAK3 64/4885BTK 1/4885LCK 3/4885
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK JAK3 60/4885BTK 1/4885LCK 3/4885
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK JAK3 60/4885BTK 1/4885LCK 3/4885
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK JAK3 60/4885BTK 1/4885LCK 3/4885

“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