SCHEMBL14929628

SCHEMBL14929628

Cn1ccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)cn(C)c2=O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
TYK2 P29597 4/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SYK P43405 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 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
SCHEMBL24374749 0.83 BTK (0.37) BTKIDO1TDO2
SCHEMBL10264460 0.82 BTK (0.37) BTKIDO1TDO2ALDH1A1LMNA
SCHEMBL14925959 0.81 MEN1 (0.39) BTKTYK2NPC1RAB9AMAPT
SCHEMBL29741917 0.81 MEN1 (0.39) BTKTYK2NPC1RAB9AMAPT
SCHEMBL14926128 0.81 BTK (0.37) BTKTYK2IDO1TDO2SMN1; SMN2
SCHEMBL174059 0.81 MKNK1 (0.46) BTK
SCHEMBL14912419 0.80 PIK3C3 (0.37) BTKIDO1TDO2
SCHEMBL1393777 0.79 AURKA (0.39) BTKSYK
SCHEMBL31158072 0.79 BTK (0.38) BTKIDO1TDO2
SCHEMBL31158067 0.79 POLB (0.37) TYK2IDO1TDO2

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 1/4885TYK2 4/4885BACE1 2765/4885
US-20140128401-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS BTK, LCK, SYK BTK 1/4885TYK2 4/4885BACE1 2433/4885

“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.