SCHEMBL5234463

SCHEMBL5234463

CCCCOc1c(CN2C(=O)c3ccccc3C2=O)n(CC2CC2)c(=O)c2ccc(Br)cc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.44
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
TSHR P16473 1/20 0.37
PTK2B Q14289 1/20 0.37
RAB9A P51151 1/20 0.35
CYP1B1 Q16678 1/20 0.34
DPP4 P27487 1/20 0.34
RXRA P19793 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ACHE P22303 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL5232665 0.87 TSHR (0.38) TSHRPTK2BSMN1; SMN2ADORA3ACHE
SCHEMBL5239426 0.86 TSHR (0.39) TSHRPTK2BRAB9ASMN1; SMN2LMNA
SCHEMBL5237163 0.86 DPP4 (0.48) PRMT5WDR77TSHRPTK2BRAB9A
SCHEMBL5234959 0.85 PRMT5 (0.39) MAPK8PRMT5WDR77TSHRPTK2B
SCHEMBL5239965 0.84 MAPK8 (0.44) MAPK8DPP4SMN1; SMN2LMNAADORA3
SCHEMBL5239784 0.84 MAPK8 (0.53) MAPK8DPP4SMN1; SMN2LMNAACHE
SCHEMBL5234694 0.79 MAPK8 (0.45) MAPK8SMN1; SMN2LMNA
SCHEMBL5235048 0.77 MAPK8 (0.55) MAPK8SMN1; SMN2LMNA
SCHEMBL5239586 0.76 SMN1; SMN2 (0.48) TSHRPTK2BDPP4SMN1; SMN2LMNA
SCHEMBL6109713 0.76 MAPK8 (0.42) MAPK8DPP4SMN1; SMN2LMNAACHE

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 MAPK8 2612/4885PRMT5 176/4885WDR77 804/4885

“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.