SCHEMBL608710

SCHEMBL608710

Cc1cc(Nc2cc(Cl)nn(C)c2=O)nn1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
BAZ2B Q9UIF8 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
BTK Q06187 2/20 0.33
SYK P43405 2/20 0.32
KAT2B Q92831 2/20 0.32
BRD9 Q9H8M2 2/20 0.32
BRD4 O60885 1/20 0.32
IGF1R P08069 1/20 0.32
MAPT P10636 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 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
SCHEMBL14918821 0.79 MAPT (0.39) ALDH1A1AURKAAURKBMAPT
SCHEMBL1393128 0.79 SYK (0.41) BTKSYKJAK2JAK1
SCHEMBL14914450 0.78 AURKA (0.57) AURKAAURKBSYK
SCHEMBL1393054 0.78 CCR9 (0.37) ALDH1A1LMNAMAPT
SCHEMBL708941 0.78 NPC1 (0.42) ALDH1A1LMNAAURKAAURKBBTK
SCHEMBL24375281 0.77 BTK (0.38) AURKAAURKBBTKKAT2B
SCHEMBL14912741 0.76 PIK3C3 (0.40) JAK2
SCHEMBL611313 0.76 KAT2B (0.34) BTKKAT2B
SCHEMBL161634 0.75 MEN1 (0.47) ALDH1A1AURKAAURKBBTKMAPT
SCHEMBL162573 0.74 MKNK2 (0.52)

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-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed
EP-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 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-2773632-B1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 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
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
US-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 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 (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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK ALDH1A1 3488/4885LMNA 2227/4885BAZ2B 1191/4885
US-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS BTK, LCK, SYK ALDH1A1 4769/4885LMNA 2079/4885BAZ2B 2280/4885
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN ALDH1A1 4422/4885LMNA 4654/4885BAZ2B 998/4885

“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.