SCHEMBL2459906

SCHEMBL2459906

CC(C)(CO)c1ccc(C(=O)Nc2cc(-c3cc(Nc4ccc(N5CCNCC5=O)cn4)c(=O)[nH]n3)ccc2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.40
CDK4 P11802 2/20 0.38
CDK6 Q00534 2/20 0.38
SYK P43405 1/20 0.37
F10 P00742 2/20 0.35
HDAC2 Q92769 3/20 0.34
HDAC3 O15379 2/20 0.34
WNT1 P04628 2/20 0.34
GSK3B P49841 2/20 0.34
DYRK1A Q13627 2/20 0.34
KCNH2 Q12809 1/20 0.34
TYK2 P29597 2/20 0.33
CLK2 P49760 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
MAP3K5 Q99683 1/20 0.33
CCND1 P24385 1/20 0.33

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
SCHEMBL2464238 0.81 BTK (0.42) BTKCDK4SYKCLK2JAK2
SCHEMBL2493665 0.81 BTK (0.60) BTKCDK4CDK6F10HDAC2
SCHEMBL2462693 0.80 BTK (0.47) BTKCDK4CDK6HDAC2HDAC3
SCHEMBL2493704 0.77 BTK (0.51) BTKGSK3BDYRK1A
SCHEMBL9984813 0.77 BTK (0.45) BTK
SCHEMBL9985051 0.76 BTK (0.67) BTK
SCHEMBL2490843 0.76 BTK (0.46) BTK
SCHEMBL9985063 0.75 BTK (0.45) BTKGSK3BTYK2CLK2JAK2
SCHEMBL2464518 0.75 BTK (0.44) BTKF10GSK3BCLK2MAP3K5
SCHEMBL2464995 0.74 BTK (0.48) BTKCLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598174-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC. (US) 2013-12-03 US claimed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US claimed
EP-2365970-A1 Pyridazinones and their use as btk inhibitors CGI Pharmaceuticals, Inc. (US) 2011-09-21 EP claimed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 WO claimed
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
EP-2365970-A1 Pyridazinones and their use as btk inhibitors CGI Pharmaceuticals, Inc. (US) 2011-09-21 EP 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 1/4885CDK4 439/4885CDK6 162/4885

“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.