SCHEMBL1613484

SCHEMBL1613484

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C(C=CC=O)CNC(=O)CCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.51
▸ EGFR P00533 6/20 0.51
▸ LCK P06239 5/20 0.51
▸ JAK3 P52333 5/20 0.51
▸ ITK Q08881 5/20 0.51
▸ NUDT14 O95848 1/20 0.47
▸ NUDT5 Q9UKK9 1/20 0.47
▸ ABL1 P00519 1/20 0.45
▸ ERBB2 P04626 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ YES1 P07947 1/20 0.45
▸ LYN P07948 1/20 0.45
▸ HCK P08631 1/20 0.45
▸ FGR P09769 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ FER P16591 1/20 0.45
▸ CSK P41240 1/20 0.45
▸ TEC P42680 1/20 0.45
▸ BLK P51451 1/20 0.45
▸ BMX P51813 1/20 0.45

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
SCHEMBL1613478 1.00 BTK (0.51) BTKEGFRLCKJAK3ITK
SCHEMBL1613481 1.00 BTK (0.51) BTKEGFRLCKJAK3ITK
SCHEMBL29663758 0.74 NUDT14 (0.52) BTKEGFRLCKJAK3ITK
SCHEMBL28747962 0.73 NUDT14 (0.61) BTKEGFRLCKJAK3ITK
SCHEMBL29892266 0.73 NUDT14 (0.65) BTKEGFRLCKJAK3ITK
SCHEMBL25069027 0.71 SRC (0.76) EGFRLCKNUDT14NUDT5ABL1
SCHEMBL28473150 0.70 BTK (0.68) BTKEGFRLCKJAK3ITK
SCHEMBL1612513 0.70 EGFR (0.50) BTKEGFRLCKJAK3ITK
SCHEMBL27586498 0.70 NUDT14 (0.58) BTKEGFRLCKJAK3ITK
SCHEMBL28468967 0.70 BTK (0.65) BTKEGFRLCKJAK3ITK

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 6 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-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-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
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 BTK 2/4885EGFR 947/4885LCK 19/4885
US-20140080844-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885EGFR 947/4885LCK 19/4885

“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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