SCHEMBL14617848

SCHEMBL14617848

CC(C)(C)OC(=O)Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2-c1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.47
▸ NUDT14 O95848 1/20 0.45
▸ NUDT5 Q9UKK9 1/20 0.45
▸ EGFR P00533 8/20 0.43
▸ LCK P06239 6/20 0.43
▸ ITK Q08881 5/20 0.43
▸ VCP P55072 3/20 0.43
▸ PSMC4 P43686 1/20 0.42
▸ SRC P12931 2/20 0.42
▸ JAK3 P52333 2/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40

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
SCHEMBL14617847 0.91 VCP (0.43) BTKNUDT14NUDT5EGFRLCK
SCHEMBL14617845 0.88 HTT (0.42) BTKNUDT14NUDT5VCPPSMC4
SCHEMBL14693504 0.80 ABL1 (0.38) EGFRLCKSRCPIK3CDABL1
SCHEMBL31113537 0.76 BTK (0.53) BTKNUDT14NUDT5EGFRLCK
SCHEMBL30718278 0.75 NUDT14 (0.55) BTKNUDT14NUDT5EGFRLCK
SCHEMBL22720780 0.75 NUDT14 (0.55) BTKNUDT14NUDT5EGFRLCK
SCHEMBL13012718 0.73 BTK (0.54) BTKLCKJAK3KDR
SCHEMBL25068862 0.72 NUDT14 (0.68) BTKNUDT14NUDT5EGFRLCK
SCHEMBL25068860 0.72 NUDT14 (0.64) BTKNUDT14NUDT5EGFRLCK
SCHEMBL15087023 0.72 GPR119 (0.52) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862722-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2018-01-09 — — US disclosed
US-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2015-11-19 — — US disclosed
US-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2015-11-19 — — US disclosed
US-9138436-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-09-22 — — US disclosed
US-9138436-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-09-22 — — US disclosed
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 — — US disclosed
WO-2013010136-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 — — WO disclosed
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 — — 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-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885NUDT14 1389/4885NUDT5 1617/4885
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885NUDT14 1389/4885NUDT5 1617/4885

“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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