SCHEMBL1708065

SCHEMBL1708065

Cc1c(CO)cccc1-n1c(C)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.44
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
RAB9A P51151 1/20 0.44
GSK3B P49841 1/20 0.41
MAPT P10636 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
AGER Q15109 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1708124 0.83 MAPK1 (0.48) TSHRMAPK1MAPTPIK3CBLMNA
SCHEMBL1708275 0.80 BMI1 (0.37) TSHRALDH1A1L3MBTL1
SCHEMBL19486460 0.79 TSHR (0.82) TSHRMAPK1HTTNPC1GALR3
SCHEMBL21621709 0.78 PDCD1 (0.40) TSHRPDCD1CD274ALDH1A1TP53
SCHEMBL31259052 0.77 TSHR (0.68) TSHRMAPK1HTTNPC1RAB9A
SCHEMBL22219415 0.77 TSHR (0.68) TSHRMAPK1HTTNPC1RAB9A
SCHEMBL21128383 0.75 TSHR (0.69) TSHRMAPK1HTTNPC1GALR3
SCHEMBL20041464 0.75 TSHR (0.70) TSHRMAPK1HTTMAPTPIK3CD
SCHEMBL13052935 0.75 TSHR (0.74) TSHRMAPK1HTTNPC1GALR3
SCHEMBL15605424 0.75 TSHR (1.00) TSHRMAPK1HTTNPC1GALR3

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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R TSHR 637/4885MAPK1 326/4885HTT 3977/4885

“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.