SCHEMBL16611326

SCHEMBL16611326

CCC(COC)n1cc(-c2ccc(CC#N)cc2)c2c(OC)nccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.37
CRHR1 P34998 2/20 0.33
FLT3 P36888 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TNF P01375 1/20 0.31
PIK3CG P48736 2/20 0.31
PIK3CD O00329 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
HCK P08631 1/20 0.31
SRC P12931 1/20 0.31
KDR P35968 1/20 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
SCHEMBL16610998 0.88 CRHR1 (0.40) NAAACRHR1EGLN1KDM4EMEN1
SCHEMBL16611297 0.81 CA1 (0.40)
SCHEMBL16611253 0.78 EGLN1 (0.33) CRHR1EGLN1
SCHEMBL16611143 0.75 CRHR1 (0.35) CRHR1
SCHEMBL16610897 0.72 DYRK1A (0.41) NAAAFLT3ABL1EGFRHCK
SCHEMBL16610797 0.70 LCK (0.43) NAAAFLT3SRCKDR
SCHEMBL16726645 0.67 BRD4 (0.33)
SCHEMBL16610721 0.66 CRHR1 (0.39) CRHR1EGLN1KDR
SCHEMBL16612072 0.65 EGFR (0.44) NAAAPIK3CGPIK3CDABL1EGFR
SCHEMBL16610973 0.63 PIK3CG (0.37) NAAAFLT3KDM4EMEN1CYP1A2

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 NAAA 4412/4885CRHR1 3128/4885FLT3 1654/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 NAAA 4412/4885CRHR1 3128/4885FLT3 1654/4885

“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.