SCHEMBL16610878

SCHEMBL16610878

COc1ncc(Br)c2c1c(-c1cnn(COCC[Si](C)(C)C)c1)nn2-c1c(F)cccc1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.33
DGAT1 O75907 1/20 0.32
PIK3CD O00329 2/20 0.30
PIK3CA P42336 2/20 0.30
PIK3CG P48736 2/20 0.30

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
SCHEMBL16610957 0.88 LRRK2 (0.31) LRRK2
SCHEMBL16611433 0.78 LRRK2 (0.35) LRRK2
SCHEMBL16610976 0.74 ROCK2 (0.36)
SCHEMBL16610719 0.74 PIK3CG (0.36) PIK3CDPIK3CAPIK3CG
SCHEMBL16610883 0.74 PTGS2 (0.33) DGAT1
SCHEMBL16611372 0.74 MAP4K1 (0.41) PIK3CDPIK3CAPIK3CG
SCHEMBL16610666 0.71 PIK3CG (0.40) LRRK2PIK3CDPIK3CAPIK3CG
SCHEMBL16611410 0.67 KCNJ5 (0.36)
SCHEMBL16611320 0.66 LRRK2 (0.50) LRRK2PIK3CDPIK3CA
SCHEMBL20732938 0.66 KCNH2 (0.48) DGAT1

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 1393/4885DGAT1 2448/4885PIK3CD 1337/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 LRRK2 1393/4885DGAT1 2448/4885PIK3CD 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.