SCHEMBL1431994

SCHEMBL1431994

Cn1cc(-c2cccc(N3CCc4cc(C(C)(C)C)ccc4C3=O)c2CO)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1=O

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.79

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
SCHEMBL13523470 0.91 BTK (0.81) BTK
SCHEMBL3139251 0.90 BTK (0.79) BTK
SCHEMBL3129060 0.89 BTK (0.87) BTK
SCHEMBL3128926 0.88 BTK (0.76) BTK
SCHEMBL3147381 0.88 BTK (1.00) BTK
SCHEMBL14980892 0.86 BTK (0.59) BTK
SCHEMBL174501 0.86 BTK (1.00) BTK
SCHEMBL3131874 0.85 BTK (0.58) BTK
SCHEMBL15329511 0.85 BTK (0.70) BTK
SCHEMBL255469 0.84 BTK (0.67) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536166-B2 Inhibitors of Burton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-09-17 US claimed
US-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE ROCHE PALO ALTO LLC 2010-01-07 US claimed
US-8536166-B2 Inhibitors of Burton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-09-17 US disclosed
US-8536166-B2 Inhibitors of Burton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-09-17 US disclosed
US-8536166-B2 Inhibitors of Burton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-09-17 US disclosed
EP-2300459-B1 NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2013-05-29 EP disclosed
EP-2300459-A1 NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-03-30 EP disclosed
US-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE ROCHE PALO ALTO LLC 2010-01-07 US disclosed
US-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE ROCHE PALO ALTO LLC 2010-01-07 US disclosed
WO-2010000633-A1 NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-07 WO disclosed
WO-2010000633-A1 NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-07 WO 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-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885

“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.