SCHEMBL9985496

SCHEMBL9985496

CC(C)(C)c1cnc(C(=O)Nc2cc(-c3cc(Nc4ccc(-c5ccncc5)nn4)c(=O)[nH]n3)ccc2F)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.48
GSK3B P49841 3/20 0.37
GSK3A P49840 2/20 0.37
DYRK1A Q13627 2/20 0.37
ITK Q08881 2/20 0.35
KIT P10721 1/20 0.35
SRC P12931 1/20 0.35
FLT3 P36888 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
STING1 Q86WV6 5/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C18 P33260 1/20 0.32
CYP2C19 P33261 1/20 0.32
KCNH2 Q12809 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2461976 0.88 BTK (0.50) BTKGSK3BGSK3ADYRK1AFLT3
SCHEMBL2463710 0.82 BTK (0.51) BTKSRCNPC1SMN1; SMN2
SCHEMBL2490547 0.82 BTK (0.57) BTKSRCNPC1SMN1; SMN2
SCHEMBL2464012 0.81 BTK (0.52) BTK
SCHEMBL9984466 0.80 BTK (0.33) BTKITKKITSRCFLT3
SCHEMBL2488821 0.80 BTK (0.52) BTKGSK3BSRC
SCHEMBL2490514 0.80 BTK (0.55) BTKFLT3HDAC3HDAC1HDAC2
SCHEMBL2465074 0.78 BTK (0.51) BTKSRC
SCHEMBL9984819 0.78 BTK (0.61) BTKSRC
SCHEMBL2491166 0.78 BTK (0.61) BTKSRCHDAC3HDAC1HDAC2

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 6 patents. 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
US-8598174-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC. (US) 2013-12-03 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 (1 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 BTK 1/4885GSK3B 468/4885GSK3A 604/4885

“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.