SCHEMBL16611133

SCHEMBL16611133

COC(=O)c1c[nH]c(=O)c2c(-c3csc(-c4noc(=O)[nH]4)c3)cn(C3CCCC3)c12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.35
FLT3 P36888 1/20 0.32
CCKAR P32238 2/20 0.31
CCKBR P32239 2/20 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
SCHEMBL18054665 0.91 XDH (0.37) XDH
SCHEMBL16611657 0.81 QPCT (0.32) FLT3
SCHEMBL16611549 0.80 BTK (0.31)
SCHEMBL16610936 0.74 MARK3 (0.34) FLT3
SCHEMBL16611187 0.73 LRRK2 (0.37)
SCHEMBL16611559 0.72 QPCT (0.34) XDH
SCHEMBL16611421 0.71 MEN1 (0.34) FLT3
SCHEMBL18052591 0.71 MARK3 (0.32) FLT3
SCHEMBL16611298 0.71 OPRM1 (0.31) FLT3
SCHEMBL16611259 0.71 BRD4 (0.33) FLT3

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 XDH 1789/4885FLT3 1654/4885CCKAR 2222/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 XDH 1789/4885FLT3 1654/4885CCKAR 2222/4885

“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.