SCHEMBL1730204

SCHEMBL1730204

Cn1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2ccc(CN3CCOCC3)cn2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.47
▸ AURKA O14965 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ IKBKE Q14164 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ EPAS1 Q99814 1/20 0.36
▸ CNR2 P34972 6/20 0.36
▸ SYK P43405 2/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ BDKRB1 P46663 1/20 0.36

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
SCHEMBL1727460 0.84 BTK (0.44) BTKSYKCDK6
SCHEMBL709160 0.84 BTK (0.49) BTKAURKARPS6KB1IKBKETBK1
SCHEMBL29741954 0.81 BTK (0.54) BTKCLK2
SCHEMBL700756 0.81 BTK (0.54) BTKCLK2
SCHEMBL10256667 0.79 BTK (0.43) BTKHIF1A
SCHEMBL1393209 0.78 BTK (0.47) BTKSYK
SCHEMBL29741963 0.77 BTK (0.47) BTK
SCHEMBL1725566 0.77 BTK (0.47) BTK
SCHEMBL14925959 0.75 MEN1 (0.39) BTK
SCHEMBL29741917 0.75 MEN1 (0.39) 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 7 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
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
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-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 1/4885AURKA 921/4885RPS6KB1 207/4885
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase BTK, SYK, LYN BTK 1/4885AURKA 881/4885RPS6KB1 176/4885

“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.

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