SCHEMBL16611864

SCHEMBL16611864

COc1nccc2c1c(OS(=O)(=O)C(F)(F)F)nn2C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.38
NR3C1 P04150 4/20 0.36
TGFBR1 P36897 4/20 0.35
TYRO3 Q06418 7/20 0.35
AXL P30530 3/20 0.33
MERTK Q12866 2/20 0.32
PIK3CG P48736 2/20 0.31
PI4KA P42356 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL16610909 0.94 LRRK2 (0.40) LRRK2NR3C1TGFBR1TYRO3AXL
SCHEMBL16611086 0.91 AXL (0.33) TYRO3AXLMERTKPIK3CGPIK3CD
SCHEMBL16611389 0.90 AXL (0.33) NR3C1TYRO3AXLMERTKPIK3CG
SCHEMBL16611264 0.88 LRRK2 (0.35) LRRK2TYRO3AXL
SCHEMBL16611382 0.78 SLC22A12 (0.33) LRRK2NR3C1
SCHEMBL16611225 0.75 TGFBR1 (0.42) LRRK2TGFBR1MERTKPIK3CGPIK3CD
SCHEMBL16611177 0.74 KHK (0.40)
SCHEMBL16611033 0.72 CHRM3 (0.32) LRRK2TGFBR1
SCHEMBL16610780 0.70 CNR1 (0.43)
SCHEMBL16610898 0.69 LRRK2 (0.43) LRRK2TGFBR1PIK3CGPIK3CDPIK3CA

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 1393/4885NR3C1 1663/4885TGFBR1 1544/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 LRRK2 1393/4885NR3C1 1663/4885TGFBR1 1544/4885

“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.