SCHEMBL5237977

SCHEMBL5237977

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
PTK2B Q14289 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM4 Q14833 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CASP3 P42574 1/20 0.35

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
SCHEMBL5276978 0.89 TSHR (0.40) TSHRPTK2BALDH1A1SMN1; SMN2NPSR1
SCHEMBL5237304 0.88 TSHR (0.43) TSHRPTK2BALDH1A1KMT2ANPSR1
SCHEMBL5237718 0.88 TSHR (0.42) TSHRPTK2BALDH1A1MEN1KMT2A
SCHEMBL5234899 0.87 NPSR1 (0.45) TSHRPTK2BMEN1KMT2ARAB9A
SCHEMBL5266554 0.87 TSHR (0.40) TSHRPTK2BKMT2ARAB9ASMN1; SMN2
SCHEMBL5239302 0.86 TSHR (0.39) TSHRPTK2BALDH1A1MEN1KMT2A
SCHEMBL5232665 0.85 TSHR (0.38) TSHRPTK2BSMN1; SMN2NPSR1CASP3
SCHEMBL5232612 0.84 NPSR1 (0.44) TSHRPTK2BMEN1KMT2ARAB9A
SCHEMBL5239586 0.83 SMN1; SMN2 (0.48) TSHRPTK2BMEN1KMT2ASMN1; SMN2
SCHEMBL5233201 0.83 ALDH1A1 (0.46) TSHRPTK2BALDH1A1MEN1KMT2A

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 3599/4885ALDH1A1 387/4885

“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.