SCHEMBL9987271

SCHEMBL9987271

O=C(Nc1cc(-c2ccc(=O)n(Nc3ccc(CNCCF)cn3)n2)ccc1F)c1cc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.45
HDAC1 Q13547 8/20 0.38
HDAC2 Q92769 3/20 0.37
FGR P09769 1/20 0.34
SRC P12931 1/20 0.34
TEC P42680 1/20 0.34
BMX P51813 1/20 0.34
TMIGD3 P0DMS9 1/20 0.34
ADORA1 P30542 1/20 0.34
STAT1 P42224 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
DHPS P49366 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK14 Q16539 1/20 0.33
F10 P00742 1/20 0.33
BCL6 P41182 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
SCHEMBL2467451 0.84 BTK (0.58) BTKHDAC1HDAC2FGRSRC
SCHEMBL9987266 0.80 BTK (0.44) BTKHDAC1HDAC2FGRSRC
SCHEMBL2465846 0.78 BTK (0.58) BTKHDAC1HDAC2FGRSRC
SCHEMBL9985337 0.77 BTK (0.47) BTKHDAC1FGRSRCTEC
SCHEMBL2464067 0.75 BTK (0.58) BTKHDAC1HDAC2FGRSRC
SCHEMBL2462161 0.73 BTK (0.63) BTKHDAC1HDAC2FGRSRC
SCHEMBL2463870 0.72 BTK (0.61) BTKHDAC1HDAC2FGRSRC
SCHEMBL2527943 0.71 BTK (0.61) BTKHDAC1HDAC2FGRSRC
SCHEMBL2491712 0.70 BTK (0.63) BTKHDAC1FGRSRCTEC
SCHEMBL2493503 0.70 BTK (0.61) BTKHDAC1HDAC2FGRSRC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885HDAC1 2226/4885HDAC2 1565/4885

“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.