SCHEMBL707851

SCHEMBL707851

Cn1cc(-c2cccc(N3CCOc4cc(C(C)(C)C)ccc4C3=O)c2CO)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.80
CLK2 P49760 1/20 0.71

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
SCHEMBL13154174 0.95 BTK (0.73) BTKCLK2
SCHEMBL1724202 0.91 BTK (0.84) BTKCLK2
SCHEMBL13092695 0.90 BTK (0.72) BTKCLK2
SCHEMBL3063516 0.90 BTK (0.72) BTKCLK2
SCHEMBL700803 0.90 BTK (0.67) BTKCLK2
SCHEMBL3066210 0.89 BTK (0.72) BTKCLK2
SCHEMBL16014706 0.89 BTK (1.00) BTKCLK2
SCHEMBL3211627 0.87 BTK (0.81) BTKCLK2
SCHEMBL3212147 0.86 BTK (0.80) BTKCLK2
SCHEMBL3067327 0.86 BTK (0.76) BTK

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318719-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-11-27 US claimed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 US claimed
EP-2421854-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-07-23 EP disclosed
US-8318719-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-11-27 US disclosed
US-8318719-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-11-27 US disclosed
US-8318719-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-11-27 US disclosed
EP-2421854-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010122038-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
WO-2010122038-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 US disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 US disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 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-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN BTK 1/4885CLK2 367/4885

“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.