SCHEMBL9984396

SCHEMBL9984396

CN(C)CCCNc1ccc(Nc2cc(-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3)nn(C)c2=O)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.47
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MCHR1 Q99705 1/20 0.37
F10 P00742 1/20 0.37
SRC P12931 2/20 0.37
FGR P09769 1/20 0.37
TEC P42680 1/20 0.37
BMX P51813 1/20 0.37
BCL6 P41182 1/20 0.36
HDAC1 Q13547 1/20 0.36
DGAT1 O75907 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
IKBKG Q9Y6K9 1/20 0.35
ACKR3 P25106 1/20 0.35
OPRM1 P35372 1/20 0.35
MAPT P10636 2/20 0.34
RAD52 P43351 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL9984405 0.88 BTK (0.48) BTKMCHR1SRCFGRTEC
SCHEMBL9985483 0.87 BTK (0.48) BTKSRCFGRTECBMX
SCHEMBL2491702 0.81 BTK (0.51) BTKF10SRCFGRTEC
SCHEMBL2462334 0.80 BTK (0.57) BTKF10SRCFGRTEC
SCHEMBL2461901 0.79 BTK (0.58) BTKF10SRCFGRTEC
SCHEMBL2461586 0.78 BTK (0.51) BTKF10SRCFGRTEC
SCHEMBL9984558 0.77 BTK (0.46) BTKOPRM1
SCHEMBL2491721 0.76 BTK (0.55) BTKSRCFGRTECBMX
SCHEMBL2489879 0.75 BTK (0.52) BTKF10SRCFGRTEC
SCHEMBL2492216 0.74 BTK (0.64) BTKSRCFGRTECBMX

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 2 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 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 1/4885TMEM97 2769/4885SIGMAR1 4329/4885

“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.