SCHEMBL16623519

SCHEMBL16623519

NSc1ccc(-c2cn(C3CCOCC3)c3cc[nH]c(=O)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
SRC P12931 4/20 0.36
LCK P06239 3/20 0.36
TEK Q02763 2/20 0.36
HCK P08631 1/20 0.36
BRD9 Q9H8M2 1/20 0.33
JAK2 O60674 7/20 0.32
JAK1 P23458 3/20 0.31
HCAR1 Q9BXC0 1/20 0.31
ASH1L Q9NR48 1/20 0.31
ABL1 P00519 2/20 0.30
EGFR P00533 2/20 0.30
ABL2 P42684 2/20 0.30
FYN P06241 1/20 0.30
RET P07949 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
FLT1 P17948 1/20 0.30
LTK P29376 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
SCHEMBL18052582 0.94 LCK (0.38) GSK3BDYRK1ASRCLCKTEK
SCHEMBL18052578 0.90 SRC (0.38) SRCLCKTEKBRD9JAK2
SCHEMBL18052586 0.88 BRD9 (0.38) SRCLCKTEKBRD9HCAR1
SCHEMBL16726643 0.85 GSK3B (0.40) GSK3BDYRK1ASRCLCKTEK
SCHEMBL16610905 0.84 CA12 (0.39) GSK3BDYRK1ASRCLCKTEK
SCHEMBL16611042 0.80 GSK3B (0.36) GSK3BDYRK1ASRCLCKTEK
SCHEMBL18052592 0.80 BRD9 (0.30) BRD9
SCHEMBL16623549 0.79 LCK (0.38) GSK3BDYRK1ASRCLCKTEK
SCHEMBL18052580 0.78 CREBBP (0.38) JAK2JAK1
SCHEMBL16610867 0.78 CA12 (0.38) SRCLCKTEKJAK2JAK1

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 3 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-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 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 (1 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 GSK3B 3280/4885DYRK1A 4694/4885SRC 1557/4885

“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.