SCHEMBL2492576

SCHEMBL2492576

O=C(Nc1cc(-c2cc(Nc3cc(C4CC4)[nH]n3)c(=O)[nH]n2)ccc1F)c1cc2ccccc2s1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.67
FGR P09769 1/20 0.50
SRC P12931 1/20 0.50
TEC P42680 1/20 0.50
BMX P51813 1/20 0.50
TMIGD3 P0DMS9 2/20 0.43
ADORA1 P30542 2/20 0.43
ADORA2A P29274 1/20 0.43
HDAC1 Q13547 1/20 0.41
CDK2 P24941 4/20 0.39
CCNA2 P20248 3/20 0.39
CCNA1 P78396 3/20 0.39
DHPS P49366 1/20 0.38
STAT1 P42224 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
IGF1R P08069 1/20 0.38

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
SCHEMBL2492538 0.86 BTK (0.51) BTKFGRSRCTECBMX
SCHEMBL9985986 0.85 BTK (0.51) BTKFGRSRCTECBMX
SCHEMBL12045182 0.84 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL2467544 0.83 BTK (0.62) BTKFGRSRCTECBMX
SCHEMBL9984143 0.83 BTK (0.47) BTKFGRSRCTECBMX
SCHEMBL2462052 0.83 BTK (0.64) BTKFGRSRCTECBMX
SCHEMBL2493526 0.82 BTK (0.82) BTKFGRSRCTECBMX
SCHEMBL2461862 0.81 BTK (0.67) BTKFGRSRCTECBMX
SCHEMBL2491509 0.81 BTK (0.65) BTKFGRSRCTECBMX
SCHEMBL2489542 0.81 BTK (0.73) 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 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-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
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.