SCHEMBL16610864

SCHEMBL16610864

COc1nccc2c1c(I)cn2C1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 16/20 0.46
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.34
EGFR P00533 1/20 0.33

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
SCHEMBL16610783 0.93 LRRK2 (0.48) LRRK2GSK3BDYRK1AEGFR
SCHEMBL25066214 0.87 GRM1 (0.39) LRRK2EGFR
SCHEMBL16611056 0.81 LRRK2 (0.33) LRRK2
SCHEMBL16611059 0.81 LRRK2 (0.33) LRRK2
SCHEMBL16611158 0.81 LRRK2 (0.33) LRRK2
SCHEMBL16611272 0.75 GSK3B (0.42) LRRK2GSK3BDYRK1AEGFR
SCHEMBL16610897 0.74 DYRK1A (0.41) LRRK2GSK3BDYRK1AEGFR
SCHEMBL25752493 0.72 HASPIN (0.35) LRRK2
SCHEMBL16610842 0.72 LRRK2 (0.45) LRRK2
SCHEMBL23966903 0.70 ADK (0.33)

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 1393/4885GSK3B 3280/4885DYRK1A 4694/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 LRRK2 1393/4885GSK3B 3280/4885DYRK1A 4694/4885

“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.