SCHEMBL3131874

SCHEMBL3131874

Cn1cc(-c2cccc(N3CCc4cc(C(C)(C)C)ccc4C3=O)c2CO)nc(Nc2ccnc(N3CCOCC3)c2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.58

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
SCHEMBL3143296 0.90 BTK (0.60) BTK
SCHEMBL1431994 0.85 BTK (0.79) BTK
SCHEMBL15329511 0.84 BTK (0.70) BTK
SCHEMBL3129245 0.82 BTK (0.59) BTK
SCHEMBL3139280 0.82 BTK (0.68) BTK
SCHEMBL3143542 0.80 BTK (0.67) BTK
SCHEMBL1433377 0.79 BTK (0.62) BTK
SCHEMBL15329751 0.77 BTK (0.59) BTK
SCHEMBL3138908 0.77 BTK (0.67) BTK
SCHEMBL13523470 0.76 BTK (0.81) 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-B1 NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2013-05-29 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
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

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.