SCHEMBL16610909

SCHEMBL16610909

COc1nccc2c1c(OS(=O)(=O)C(F)(F)F)nn2C1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.40
TYRO3 Q06418 4/20 0.33
PIK3CD O00329 4/20 0.33
ABL1 P00519 4/20 0.33
EGFR P00533 4/20 0.33
HCK P08631 4/20 0.33
SRC P12931 4/20 0.33
KDR P35968 4/20 0.33
PIK3CA P42336 4/20 0.33
PIK3CB P42338 4/20 0.33
MTOR P42345 4/20 0.33
PIK3CG P48736 4/20 0.33
EPHB4 P54760 4/20 0.33
PRKDC P78527 4/20 0.33
PI4KB Q9UBF8 4/20 0.33
KDM4C Q9H3R0 2/20 0.32
NR3C1 P04150 1/20 0.32
CCR4 P51679 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 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
SCHEMBL16611264 0.94 LRRK2 (0.35) LRRK2TYRO3EGFRKDM4CCCR4
SCHEMBL16611864 0.94 LRRK2 (0.38) LRRK2TYRO3PIK3CDPIK3CAPIK3CG
SCHEMBL16611086 0.87 AXL (0.33) TYRO3PIK3CDABL1EGFRHCK
SCHEMBL16611389 0.86 AXL (0.33) TYRO3PIK3CDABL1EGFRHCK
SCHEMBL16611382 0.77 SLC22A12 (0.33) LRRK2NR3C1
SCHEMBL16610898 0.76 LRRK2 (0.43) LRRK2PIK3CDABL1EGFRHCK
SCHEMBL16611177 0.73 KHK (0.40)
SCHEMBL16610982 0.70 EGFR (0.41) LRRK2PIK3CDABL1EGFRHCK
SCHEMBL16611033 0.70 CHRM3 (0.32) LRRK2TGFBR1
SCHEMBL16611225 0.69 TGFBR1 (0.42) LRRK2PIK3CDABL1EGFRHCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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 (2 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 LRRK2 1393/4885TYRO3 3012/4885PIK3CD 1337/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 LRRK2 1393/4885TYRO3 3012/4885PIK3CD 1337/4885

“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.