SCHEMBL5238249

SCHEMBL5238249

CCCCOc1c(CN2C(=O)c3ccccc3C2=O)n(CC(C)(C)C)c(=O)c2ccc(F)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
PTK2B Q14289 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.35
DPP4 P27487 1/20 0.35
CASP3 P42574 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 2/20 0.32
GRM5 P41594 1/20 0.32
PGR P06401 1/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
METAP2 P50579 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
SCHEMBL5237497 0.96 TSHR (0.38) TSHRPTK2BNPC1RAB9APTGDR2
SCHEMBL5238745 0.90 RORA (0.40) TSHRPTK2BRAB9ADPP4L3MBTL1
SCHEMBL5232925 0.89 TSHR (0.45) TSHRPTK2BRAB9ADPP4L3MBTL1
SCHEMBL5230945 0.89 RORA (0.39) TSHRPTK2BPTGDR2DPP4PGR
SCHEMBL5235940 0.89 ALDH1A1 (0.40) TSHRPTK2BRAB9ADPP4L3MBTL1
SCHEMBL5236649 0.89 MEN1 (0.40) TSHRPTK2BRAB9ADPP4CASP3
SCHEMBL5234959 0.89 PRMT5 (0.39) TSHRPTK2BRAB9ADPP4L3MBTL1
SCHEMBL5237827 0.87 TSHR (0.42) TSHRPTK2BRAB9ACASP3L3MBTL1
SCHEMBL5239302 0.87 TSHR (0.39) TSHRPTK2BRAB9ADPP4CASP3
SCHEMBL5236732 0.86 KDM4E (0.42) TSHRPTK2BRAB9ACASP3MAPT

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 5 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
EP-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 TSHR 2475/4885PTK2B 3599/4885NPC1 2372/4885

“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.