SCHEMBL14929686

SCHEMBL14929686

Cn1cc(Br)cc(Nc2ccc(C(C)(C)C#N)cn2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.42
PIK3CA P42336 3/20 0.39
PRKDC P78527 2/20 0.39
SYK P43405 2/20 0.35
CLK2 P49760 1/20 0.34
TYK2 P29597 1/20 0.33
MAP3K5 Q99683 1/20 0.32
RAF1 P04049 3/20 0.32
BRAF P15056 3/20 0.32
YES1 P07947 1/20 0.32
PIK3CD O00329 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
AR P10275 1/20 0.31

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
SCHEMBL1725718 0.85 MAP3K5 (0.43) BTKSYKCLK2TYK2MAP3K5
SCHEMBL1725921 0.85 BTK (0.38) BTKSYKCLK2MAP3K5
SCHEMBL1726136 0.81 BTK (0.36) BTKSYKCLK2MAP3K5
SCHEMBL1725492 0.81 BTK (0.40) BTKCLK2MAP3K5
SCHEMBL1724583 0.81 BTK (0.39) BTKSYKCLK2MAP3K5
SCHEMBL12602969 0.78 BTK (0.46) BTKTYK2
SCHEMBL14933856 0.77 BTK (0.35) BTKCLK2
SCHEMBL10255868 0.77 MAPK14 (0.47) BTKPIK3CAPRKDCTYK2
SCHEMBL1725758 0.77 BTK (0.39) BTKPIK3CAPRKDCTYK2MTOR
SCHEMBL13139759 0.76 CA12 (0.38) BTKPIK3CAPRKDCSYKCLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773632-B1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-12 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-20140128401-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2014-05-08 US disclosed
US-20140128401-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2014-05-08 US disclosed
US-8669251-B2 8-fluorophthalazin-1(2H)-one compounds GENENTECH, INC. (US) 2014-03-11 US disclosed
US-8669251-B2 8-fluorophthalazin-1(2H)-one compounds GENENTECH, INC. (US) 2014-03-11 US disclosed
WO-2013067264-A1 8-FLUOROPHTHALAZIN-1 (2H) - ONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 WO disclosed
US-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 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-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS BTK, LCK, SYK BTK 1/4885PIK3CA 185/4885PRKDC 112/4885
US-20140128401-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS BTK, LCK, SYK BTK 1/4885PIK3CA 173/4885PRKDC 93/4885

“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.