SCHEMBL2489783

SCHEMBL2489783

Cc1ccc(-c2cc(Nc3cc(CN4CCC4)n(C)n3)c(=O)[nH]n2)cc1NC(=O)c1cnc(C(C)(C)C)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.49
EGFR P00533 1/20 0.35
BRAF P15056 1/20 0.35
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KIT P10721 2/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
MAPK14 Q16539 1/20 0.33
SMO Q99835 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 1/20 0.33
FGR P09769 1/20 0.32
SRC P12931 1/20 0.32
TEC P42680 1/20 0.32
BMX P51813 1/20 0.32

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
SCHEMBL2489531 0.82 BTK (0.72) BTKBRAFFGRSRCTEC
SCHEMBL2490547 0.80 BTK (0.57) BTKFGRSRCTECBMX
SCHEMBL9984839 0.80 BTK (0.59) BTKPDCD1CD274FGRSRC
SCHEMBL2493470 0.77 BTK (0.47) BTKHDAC1FGRSRCTEC
SCHEMBL2490843 0.76 BTK (0.46) BTKHDAC1FGRSRCTEC
SCHEMBL2488913 0.75 BTK (0.69) BTKMAPTHDAC1FGRSRC
SCHEMBL2493674 0.74 BTK (0.77) BTKFGRSRCTECBMX
SCHEMBL2489490 0.74 BTK (0.47) BTKHDAC1FGRSRCTEC
SCHEMBL2488821 0.74 BTK (0.52) BTKBRAFFGRSRCTEC
SCHEMBL2491166 0.73 BTK (0.61) BTKHDAC1FGRSRCTEC

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 1/4885EGFR 1027/4885BRAF 122/4885

“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.