SCHEMBL16611574

SCHEMBL16611574

COC(=O)c1cc(-c2cn(C3CCCC3)c3c(C#N)cnc(OC)c23)cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.36
CSNK2A1 P68400 1/20 0.34
FGFR4 P22455 1/20 0.33
RET P07949 1/20 0.33
NUAK1 O60285 3/20 0.33
PLK1 P53350 1/20 0.32
MARK3 P27448 3/20 0.32
GAA P10253 1/20 0.32
ABL1 P00519 3/20 0.32
EGFR P00533 3/20 0.32
SRC P12931 3/20 0.32
PIK3CD O00329 2/20 0.32
SGK1 O00141 1/20 0.32
CHEK1 O14757 1/20 0.32
MAPK13 O15264 1/20 0.32
PDPK1 O15530 1/20 0.32
CCNT1 O60563 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
CHEK2 O96017 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
SCHEMBL16611418 0.91 RORC (0.35) RORCFGFR4RETNUAK1MARK3
SCHEMBL16611403 0.82 RORC (0.33) RORCRETNUAK1ABL1EGFR
SCHEMBL16611559 0.82 QPCT (0.34)
SCHEMBL16610877 0.79 SRC (0.46) FGFR4RETABL1EGFRSRC
SCHEMBL16611226 0.79 SRC (0.44) ABL1EGFRSRCLCKIGF1R
SCHEMBL16611505 0.78 SRC (0.39) RORCFGFR4RETABL1EGFR
SCHEMBL16610711 0.78 EGFR (0.42) CSNK2A1ABL1EGFRSRCPIK3CD
SCHEMBL16611724 0.78 RET (0.40) RETPIK3CDCHEK1PIK3R1
SCHEMBL16611632 0.77 LRRK2 (0.38) RETABL1EGFRSRCPIK3CD
SCHEMBL16610728 0.77 ROCK2 (0.35) ABL1EGFRSRCROCK2ROCK1

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 RORC 538/4885CSNK2A1 1199/4885FGFR4 619/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 RORC 538/4885CSNK2A1 1199/4885FGFR4 619/4885

“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.