SCHEMBL2465624

SCHEMBL2465624

O=C(Nc1cc(-c2cc(Nc3ccc(CN[C@@H]4CCOC4)cn3)c(=O)[nH]n2)ccc1F)c1cc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.55
FGR P09769 1/20 0.42
SRC P12931 1/20 0.42
TEC P42680 1/20 0.42
BMX P51813 1/20 0.42
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
HDAC2 Q92769 2/20 0.35
HDAC1 Q13547 1/20 0.34
WDR5 P61964 2/20 0.34
BCL6 P41182 1/20 0.34
MAPK1 P28482 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
TACR2 P21452 1/20 0.34
BRAF P15056 1/20 0.33
TGFBR1 P36897 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
SCHEMBL2462161 0.85 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL2467451 0.84 BTK (0.58) BTKFGRSRCTECBMX
SCHEMBL2465846 0.84 BTK (0.58) BTKFGRSRCTECBMX
SCHEMBL2463870 0.84 BTK (0.61) BTKFGRSRCTECBMX
SCHEMBL2464067 0.83 BTK (0.58) BTKFGRSRCTECBMX
SCHEMBL19981683 0.83 BTK (0.37) BTKROCK2ROCK1HDAC2HDAC1
SCHEMBL2493858 0.83 BTK (0.59) BTKFGRSRCTECBMX
SCHEMBL2491712 0.82 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL2527943 0.82 BTK (0.61) BTKFGRSRCTECBMX
SCHEMBL2493503 0.81 BTK (0.61) BTKFGRSRCTECBMX

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 12 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
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
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
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 1/4885FGR 1105/4885SRC 139/4885

“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.