SCHEMBL2488935

SCHEMBL2488935

Cc1cc(Nc2cc(-c3ccc(F)c(NC(=O)c4ccc(C(C)(C)C)cn4)c3)n[nH]c2=O)nn1C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.52
ROCK1 Q13464 1/20 0.37
FGR P09769 1/20 0.37
SRC P12931 1/20 0.37
TEC P42680 1/20 0.37
BMX P51813 1/20 0.37
SYK P43405 1/20 0.33
NTRK1 P04629 1/20 0.33
RET P07949 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
KDR P35968 1/20 0.33
CDK8 P49336 1/20 0.33
NTRK3 Q16288 1/20 0.33
MAPK14 Q16539 1/20 0.33
NTRK2 Q16620 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
SCHEMBL2490547 0.90 BTK (0.57) BTKROCK1FGRSRCTEC
SCHEMBL2528193 0.85 BTK (0.69) BTKROCK1FGRSRCTEC
SCHEMBL13363385 0.84 BTK (0.51) BTKROCK1FGRSRCTEC
SCHEMBL2493704 0.84 BTK (0.51) BTKROCK1FGRSRCTEC
SCHEMBL2490836 0.84 BTK (0.54) BTKFGRSRCTECBMX
SCHEMBL2492909 0.83 BTK (0.49) BTKROCK1FGRSRCTEC
SCHEMBL2465215 0.81 BTK (0.44) BTK
SCHEMBL2489542 0.80 BTK (0.73) BTKFGRSRCTECBMX
SCHEMBL9984746 0.79 BTK (0.45) BTKFGRSRCTECBMX
SCHEMBL2489755 0.79 BTK (0.51) BTKROCK1FGRSRCTEC

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 9 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
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
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 1/4885ROCK1 1620/4885FGR 1105/4885

“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.