SCHEMBL1725548

SCHEMBL1725548

CN1CCN(c2ccc(Nc3cc(-c4cccc(-n5ncc6cc(C(C)(C)C)cc(F)c6c5=O)c4CO)cn(C)c3=O)nc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 1.00
YES1 P07947 1/20 0.66
FGR P09769 1/20 0.66
TEC P42680 1/20 0.66
BMX P51813 1/20 0.66
KCNH2 Q12809 1/20 0.66
SLK Q9H2G2 1/20 0.66

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
SCHEMBL1727613 0.94 BTK (1.00) BTKYES1FGRTECBMX
SCHEMBL3057882 0.94 BTK (0.88) BTKYES1FGRTECBMX
SCHEMBL1725114 0.93 BTK (0.87) BTKYES1FGRTECBMX
SCHEMBL1724829 0.92 BTK (0.85) BTKYES1FGRTECBMX
SCHEMBL1727709 0.92 BTK (0.84) BTKYES1FGRTECBMX
SCHEMBL1727060 0.91 BTK (0.83) BTKYES1FGRTECBMX
SCHEMBL18192738 0.91 BTK (0.83) BTKYES1FGRTECBMX
SCHEMBL1724915 0.90 BTK (0.82) BTKYES1FGRTECBMX
SCHEMBL3058243 0.90 BTK (0.81) BTKYES1FGRTECBMX
SCHEMBL3058246 0.90 BTK (0.81) BTKYES1FGRTECBMX

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 29 patents — showing the first 20. 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 claimed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US claimed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US claimed
EP-2773632-B1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
EP-2773632-B1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 EP disclosed
EP-2773632-A1 8-FLUOROPHTHALAZIN-1 (2H) - ONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP disclosed
US-8754077-B2 8-fluorophthalazin-1(2H)-one compounds F. HOFFMANN-LA ROCHE AG (CH) 2014-06-17 US disclosed
US-8754077-B2 8-fluorophthalazin-1(2H)-one compounds F. HOFFMANN-LA ROCHE AG (CH) 2014-06-17 US disclosed
US-8754077-B2 8-fluorophthalazin-1(2H)-one compounds F. HOFFMANN-LA ROCHE AG (CH) 2014-06-17 US disclosed
US-20140128401-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2014-05-08 US disclosed
US-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS BTK, LCK, SYK BTK 1/4885YES1 17/4885FGR 132/4885
US-20140128401-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS BTK, LCK, SYK BTK 1/4885YES1 15/4885FGR 149/4885
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN BTK 1/4885YES1 19/4885FGR 298/4885

“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.