SCHEMBL5239302

SCHEMBL5239302

CCCCOc1c(CN2C(=O)c3ccccc3C2=O)n(CC(C)(C)C)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
PTK2B Q14289 1/20 0.39
DPP4 P27487 1/20 0.36
NPSR1 Q6W5P4 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP3 P42574 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL5237827 0.91 TSHR (0.42) TSHRPTK2BNPSR1SMN1; SMN2CASP3
SCHEMBL5236732 0.89 KDM4E (0.42) TSHRPTK2BCASP3MEN1KMT2A
SCHEMBL5232925 0.89 TSHR (0.45) TSHRPTK2BDPP4NPSR1SMN1; SMN2
SCHEMBL5237304 0.88 TSHR (0.43) TSHRPTK2BNPSR1CASP3HPGD
SCHEMBL5233781 0.87 HPGD (0.39) TSHRPTK2BDPP4NPSR1HPGD
SCHEMBL5238745 0.87 RORA (0.40) TSHRPTK2BDPP4NPSR1HPGD
SCHEMBL5234899 0.87 NPSR1 (0.45) TSHRPTK2BDPP4NPSR1SMN1; SMN2
SCHEMBL5237497 0.87 TSHR (0.38) TSHRPTK2BDPP4NPSR1CASP3
SCHEMBL5235940 0.87 ALDH1A1 (0.40) TSHRPTK2BDPP4NPSR1SMN1; SMN2
SCHEMBL5238249 0.87 TSHR (0.38) TSHRPTK2BDPP4NPSR1CASP3

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 US 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 TSHR 2475/4885PTK2B 3599/4885DPP4 2/4885

“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.