SCHEMBL16610865

SCHEMBL16610865

COc1nccc2c1c(-c1ccc(S(N)(=O)=O)cc1)nn2C1CCC(O[Si](C)(C)C(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TYRO3 Q06418 10/20 0.35
AXL P30530 9/20 0.35
MERTK Q12866 7/20 0.35
PRKDC P78527 2/20 0.34
S1PR1 P21453 1/20 0.34
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
EGFR P00533 2/20 0.33
BTK Q06187 1/20 0.33
TGFBR1 P36897 1/20 0.33
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 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
SCHEMBL16611184 0.85 EGFR (0.42) LRRK2CA1CA2PRKDCS1PR1
SCHEMBL16611225 0.84 TGFBR1 (0.42) LRRK2CA1CA2MERTKPRKDC
SCHEMBL16610827 0.84 EGFR (0.42) LRRK2CA1CA2MERTKPRKDC
SCHEMBL16611215 0.83 CA2 (0.38) LRRK2CA1CA2AXLMERTK
SCHEMBL16611218 0.83 CA2 (0.38) LRRK2CA1CA2AXLMERTK
SCHEMBL16611451 0.83 CA2 (0.38) LRRK2CA1CA2AXLMERTK
SCHEMBL16610898 0.81 LRRK2 (0.43) LRRK2CA1CA2PRKDCS1PR1
SCHEMBL16611051 0.80 EGFR (0.42) LRRK2CA1CA2PRKDCS1PR1
SCHEMBL16610982 0.79 EGFR (0.41) LRRK2CA1CA2PRKDCS1PR1
SCHEMBL16610846 0.78 LRRK2 (0.43) LRRK2CA1CA2PRKDCS1PR1

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 1393/4885CA1 2704/4885CA2 1618/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 LRRK2 1393/4885CA1 2704/4885CA2 1618/4885

“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.