SCHEMBL2493470

SCHEMBL2493470

Cn1nc(Nc2cc(-c3ccc(F)c(NC(=O)c4ccc(C(C)(C)O)cc4)c3)n[nH]c2=O)cc1CN1CCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.47
MCHR1 Q99705 5/20 0.37
HDAC1 Q13547 4/20 0.37
HTR2C P28335 3/20 0.37
CYP2C9 P11712 1/20 0.36
WDR5 P61964 1/20 0.35
FGR P09769 1/20 0.35
SRC P12931 1/20 0.35
TEC P42680 1/20 0.35
BMX P51813 1/20 0.35

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
SCHEMBL2490843 0.93 BTK (0.46) BTKMCHR1HDAC1HTR2CCYP2C9
SCHEMBL2489490 0.85 BTK (0.47) BTKMCHR1HDAC1HTR2CWDR5
SCHEMBL2488913 0.82 BTK (0.69) BTKHDAC1FGRSRCTEC
SCHEMBL2492283 0.82 BTK (0.42) BTKMCHR1HDAC1HTR2CCYP2C9
SCHEMBL19981754 0.81 BTK (0.55) BTKFGRSRCTECBMX
SCHEMBL9984872 0.81 BTK (0.69) BTKFGRSRCTECBMX
SCHEMBL19981695 0.80 BTK (0.35) BTKMCHR1HDAC1HTR2CCYP2C9
SCHEMBL19981981 0.79 BTK (0.52) BTKFGRSRCTECBMX
SCHEMBL2492129 0.79 BTK (0.52) BTKFGRSRCTECBMX
SCHEMBL13363385 0.79 BTK (0.51) 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 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 1/4885MCHR1 4301/4885HDAC1 2226/4885

“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.