SCHEMBL1708353

SCHEMBL1708353

CCc1nc2cccc(C)c2n1-c1cccc(CO)c1C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.36
TLR8 Q9NR97 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRB P10828 1/20 0.35
PIK3CD O00329 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL1708176 0.78 L3MBTL1 (0.38) L3MBTL1ALDH1A1TSHRTLR8THRB
SCHEMBL1708381 0.75 BMI1 (0.40) L3MBTL1TSHR
SCHEMBL1708065 0.71 TSHR (0.59) L3MBTL1ALDH1A1TSHRPIK3CDPDCD1
SCHEMBL1625073 0.71 MEN1 (0.44) TLR8
SCHEMBL11166064 0.70 PDCD1 (0.47) L3MBTL1ALDH1A1THRBPDCD1CD274
SCHEMBL11038477 0.70 PDE10A (0.42) L3MBTL1ALDH1A1TLR8PDE10A
SCHEMBL14305182 0.69 L3MBTL1 (0.67) L3MBTL1ALDH1A1CYP2C19PDE10A
SCHEMBL21621709 0.69 PDCD1 (0.40) ALDH1A1TSHRPDCD1CD274
SCHEMBL17945686 0.67 L3MBTL1 (0.41) L3MBTL1ALDH1A1TSHRPIK3CD
SCHEMBL17994368 0.67 L3MBTL1 (0.41) L3MBTL1ALDH1A1TSHRCYP2C19

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 L3MBTL1 4617/4885ALDH1A1 3930/4885TSHR 637/4885

“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.