SCHEMBL1725758

SCHEMBL1725758

Cn1cc(Br)cc(Nc2ccc(O)cn2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.39
LYN P07948 1/20 0.39
DEGS1 O15121 6/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
PRKDC P78527 2/20 0.34
MAP2K1 Q02750 2/20 0.33
MAPK14 Q16539 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL12602969 0.85 BTK (0.46) BTKLYNTYK2
SCHEMBL10255868 0.84 MAPK14 (0.47) BTKLYNJAK2JAK1TYK2
SCHEMBL14933856 0.84 BTK (0.35) BTKRXFP1MAP2K1MAPK14
SCHEMBL13178750 0.84 BTK (0.39) BTKLYNDEGS1JAK2JAK1
SCHEMBL14696131 0.84 HCAR3 (0.47) BTKRXFP1
SCHEMBL10256657 0.84 BTK (0.38) BTKTYK2
SCHEMBL1725718 0.83 MAP3K5 (0.43) BTKJAK2TYK2MAP2K1
SCHEMBL10180769 0.83 NNMT (0.48) BTKRXFP1MAP2K1
SCHEMBL24374769 0.82 BTK (0.43) BTKLYNTYK2PIK3CAMTOR
SCHEMBL13186833 0.82 BTK (0.34) BTKRXFP1MAPK14

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 17 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
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 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 BTK 1/4885LYN 3/4885DEGS1 1831/4885
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase BTK, SYK, LYN BTK 1/4885LYN 3/4885DEGS1 1761/4885

“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.