SCHEMBL13139768

SCHEMBL13139768

COCCOc1cc(Nc2cc(Br)cn(C)c2=O)ccc1OCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 2/20 0.34
▸ FBP1 P09467 1/20 0.33
▸ EGFR P00533 9/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ BRDT Q58F21 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ GAK O14976 1/20 0.31
▸ FGFR3 P22607 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ HTR2A P28223 1/20 0.31

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
SCHEMBL13425342 0.93 DUT (0.34) DUTFBP1BRD4BRDTCA12
SCHEMBL13589878 0.85 SYK (0.31) DUT
SCHEMBL13178751 0.84 MAP2K1 (0.37) FBP1EGFRBRD4BRDTHDAC3
SCHEMBL13139762 0.77 BTK (0.35) DUT
SCHEMBL15329954 0.74 DUT (0.35) DUT
SCHEMBL28380295 0.70 DUT (0.31) DUT
SCHEMBL30967302 0.70 HPGD (0.39) DUT
SCHEMBL30967300 0.70 HPGD (0.39) DUT
SCHEMBL24375244 0.69 BTK (0.43) EGFR
SCHEMBL13425337 0.69 L3MBTL1 (0.46) —

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
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 — — EP disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 — — US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 — — US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 — — 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-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN DUT 1654/4885FBP1 1370/4885EGFR 893/4885
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase BTK, SYK, LYN DUT 2145/4885FBP1 1549/4885EGFR 764/4885

“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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