SCHEMBL1612513

SCHEMBL1612513

CCC(=O)NCC(CCC(=O)O)n1nc(-c2ccc(Oc3ccc(O)cc3)cc2)c2c(N)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.50
▸ SRC P12931 7/20 0.50
▸ ABL1 P00519 6/20 0.50
▸ HCK P08631 5/20 0.50
▸ PIK3CD O00329 4/20 0.50
▸ KDR P35968 4/20 0.50
▸ PIK3CA P42336 4/20 0.50
▸ PIK3CB P42338 4/20 0.50
▸ MTOR P42345 4/20 0.50
▸ PIK3CG P48736 4/20 0.50
▸ EPHB4 P54760 4/20 0.50
▸ PRKDC P78527 4/20 0.50
▸ PI4KB Q9UBF8 4/20 0.50
▸ BTK Q06187 12/20 0.44
▸ LCK P06239 5/20 0.44
▸ ITK Q08881 3/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ NUDT14 O95848 1/20 0.44
▸ NUDT5 Q9UKK9 1/20 0.44
▸ EPHA3 P29320 1/20 0.42

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
SCHEMBL1682621 0.90 SRC (0.50) EGFRSRCABL1HCKPIK3CD
SCHEMBL1614407 0.90 SRC (0.49) EGFRSRCABL1HCKPIK3CD
SCHEMBL17375372 0.77 BTK (0.53) EGFRSRCABL1PIK3CDPIK3CA
SCHEMBL16078942 0.72 BTK (0.53) EGFRSRCABL1PIK3CDPIK3CA
SCHEMBL28747962 0.71 NUDT14 (0.61) EGFRSRCABL1HCKPIK3CD
SCHEMBL27586498 0.71 NUDT14 (0.58) EGFRSRCABL1HCKPIK3CD
SCHEMBL1613478 0.70 BTK (0.51) EGFRSRCABL1HCKBTK
SCHEMBL1613484 0.70 BTK (0.51) EGFRSRCABL1HCKBTK
SCHEMBL1613481 0.70 BTK (0.51) EGFRSRCABL1HCKBTK
SCHEMBL19176242 0.69 NUDT14 (0.58) EGFRSRCABL1HCKPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012463-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2015-04-21 — — US disclosed
US-9012463-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2015-04-21 — — US disclosed
US-20140080844-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2014-03-20 — — US disclosed
US-20140080844-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2014-03-20 — — US disclosed
EP-2650294-A1 Inhibitors of Bruton's Tyrosine Kinase Pharmacyclics, Inc. (US) 2013-10-16 — — EP disclosed
EP-2650294-A1 Inhibitors of Bruton's Tyrosine Kinase Pharmacyclics, Inc. (US) 2013-10-16 — — EP disclosed
EP-2393816-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics, Inc. (US) 2011-12-14 — — EP disclosed
WO-2011046964-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-04-21 — — WO disclosed
WO-2011046964-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-04-21 — — WO disclosed
US-20110086866-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-04-14 — — US disclosed
US-20110086866-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-04-14 — — 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 (2 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-20110086866-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EGFR 947/4885SRC 11/4885ABL1 1/4885
US-20140080844-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EGFR 947/4885SRC 11/4885ABL1 1/4885

“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.

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