SCHEMBL1613229

SCHEMBL1613229

CCC(=O)N1CC(O)CC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.66
▸ KIT P10721 1/20 0.65
▸ FLT3 P36888 1/20 0.65
▸ EGFR P00533 3/20 0.64
▸ LCK P06239 2/20 0.61
▸ ITK Q08881 1/20 0.61
▸ LYN P07948 1/20 0.61
▸ TEC P42680 1/20 0.60
▸ TXK P42681 1/20 0.60
▸ BMX P51813 1/20 0.60

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
SCHEMBL19519304 0.88 BTK (0.78) BTKKITFLT3EGFRLCK
SCHEMBL1613927 0.87 BTK (0.67) BTKEGFRTECTXKBMX
SCHEMBL31279081 0.87 BTK (0.79) BTKFLT3EGFRLCKITK
SCHEMBL11948322 0.87 BTK (0.86) BTKKITFLT3EGFRLCK
SCHEMBL17951503 0.87 BTK (0.86) BTKKITFLT3EGFRLCK
SCHEMBL25118714 0.86 BTK (0.75) BTKKITFLT3EGFRLCK
SCHEMBL15314505 0.84 BTK (0.67) BTKKITFLT3EGFRLCK
SCHEMBL6645874 0.84 BTK (0.85) BTKKITFLT3EGFRLCK
SCHEMBL5801460 0.84 BTK (0.77) BTKEGFRLCKITKLYN
SCHEMBL5801655 0.83 BTK (0.71) BTKKITFLT3EGFRLCK

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 4 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
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 2/4885KIT 692/4885FLT3 139/4885
US-20140080844-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885KIT 692/4885FLT3 139/4885

“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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