SCHEMBL16611422

SCHEMBL16611422

COc1nccc2c1c(-c1cccc(COS(C)(=O)=O)c1)nn2-c1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.38
DHODH Q02127 1/20 0.33
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
FFAR1 O14842 1/20 0.31
PI4KB Q9UBF8 1/20 0.30
F2RL3 Q96RI0 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
PIK3CD O00329 1/20 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
SCHEMBL16611034 0.85 SRC (0.39) LRRK2PI4KBPIK3CD
SCHEMBL16611229 0.85 LRRK2 (0.33) LRRK2HCRTR1HCRTR2
SCHEMBL16611570 0.83 PPARD (0.38) DHODHPTGS2FFAR1
SCHEMBL16611438 0.83 HTR7 (0.38) LRRK2
SCHEMBL16611506 0.82 PIK3CG (0.41) LRRK2PI4KBPIK3CD
SCHEMBL16610852 0.81 CNR1 (0.43) LRRK2
SCHEMBL16610798 0.80 LRRK2 (0.35) LRRK2
SCHEMBL16611049 0.77 PTGS2 (0.43) LRRK2PTGS2PTGS1PI4KBPIK3CD
SCHEMBL16611134 0.76 FFAR4 (0.36) PTGS1
SCHEMBL16610973 0.74 PIK3CG (0.37) LRRK2PI4KBPIK3CD

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 1393/4885DHODH 2695/4885PTGS2 550/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 LRRK2 1393/4885DHODH 2695/4885PTGS2 550/4885

“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.