SCHEMBL1724583

SCHEMBL1724583

COC(=O)C(C)(C)c1ccc(Nc2cc(Br)cn(C)c2=O)nc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.39
CLK2 P49760 1/20 0.37
MAP3K5 Q99683 3/20 0.35
ALDH1A1 P00352 1/20 0.34
SYK P43405 1/20 0.33
BRS3 P32247 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAP2K1 Q02750 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1725718 0.85 MAP3K5 (0.43) BTKCLK2MAP3K5SYKMAP2K1
SCHEMBL1725921 0.83 BTK (0.38) BTKCLK2MAP3K5SYK
SCHEMBL1725492 0.83 BTK (0.40) BTKCLK2MAP3K5ALDH1A1RXFP1
SCHEMBL1725453 0.81 DGAT1 (0.41) BTKCLK2
SCHEMBL14929686 0.81 BTK (0.42) BTKCLK2MAP3K5SYK
SCHEMBL10255996 0.80 MAPK1 (0.42) BTKCLK2ALDH1A1RXFP1
SCHEMBL1725629 0.80 BTK (0.37) BTKCLK2MAP3K5SYK
SCHEMBL1726136 0.80 BTK (0.36) BTKCLK2MAP3K5SYK
SCHEMBL24374769 0.78 BTK (0.43) BTKNPC1RAB9A
SCHEMBL1725758 0.78 BTK (0.39) BTKMAP2K1RXFP1

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
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 EP disclosed
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-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
EP-2403846-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2012-01-11 EP disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 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 (1 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 BTK 1/4885CLK2 434/4885MAP3K5 132/4885

“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.