SCHEMBL9984335

SCHEMBL9984335

O=C(Nc1cc(-c2cc(Nc3ccn(CCN4CCC4)n3)c(=O)[nH]n2)ccc1F)c1cc2c(s1)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.52
FGR P09769 1/20 0.39
SRC P12931 1/20 0.39
TEC P42680 1/20 0.39
BMX P51813 1/20 0.39
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.36
PARP1 P09874 2/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL2494292 0.93 BTK (0.52) BTKFGRSRCTECBMX
SCHEMBL2490771 0.90 BTK (0.52) BTKFGRSRCTECBMX
SCHEMBL2493531 0.84 BTK (0.45) BTKFGRSRCTECBMX
SCHEMBL2491965 0.83 BTK (0.57) BTKFGRSRCTECBMX
SCHEMBL9985006 0.83 BTK (0.54) BTKFGRSRCTECBMX
SCHEMBL2488067 0.81 BTK (0.78) BTKFGRSRCTECBMX
SCHEMBL9985266 0.80 BTK (0.51) BTKFGRSRCTECBMX
SCHEMBL9984355 0.80 BTK (0.54) BTKRAB9AKDM4EALDH1A1NPSR1
SCHEMBL9984648 0.80 BTK (0.49) BTKFGRSRCTECBMX
SCHEMBL2494710 0.80 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 6 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
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

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.