SCHEMBL5266554

SCHEMBL5266554

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
PTK2B Q14289 1/20 0.40
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CASP3 P42574 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ERBB2 P04626 1/20 0.35
EPHA2 P29317 1/20 0.35
KDR P35968 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
SCHEMBL5237977 0.87 TSHR (0.41) TSHRPTK2BNPSR1RAB9ASMN1; SMN2
SCHEMBL5237304 0.86 TSHR (0.43) TSHRPTK2BHPGDNPSR1CASP3
SCHEMBL5238144 0.86 CASP3 (0.37) TSHRPTK2BHPGDNPSR1RAB9A
SCHEMBL5234899 0.85 NPSR1 (0.45) TSHRPTK2BNPSR1RAB9ASMN1; SMN2
SCHEMBL5276978 0.85 TSHR (0.40) TSHRPTK2BHPGDNPSR1MAPT
SCHEMBL5239302 0.85 TSHR (0.39) TSHRPTK2BHPGDNPSR1RAB9A
SCHEMBL5236047 0.85 ALDH1A1 (0.36) TSHRPTK2BHPGDNPSR1RAB9A
SCHEMBL5237718 0.84 TSHR (0.42) TSHRPTK2BHPGDNPSR1RAB9A
SCHEMBL5233021 0.84 DPP4 (0.44) HPGDNPSR1MAPTSMN1; SMN2GABRA1
SCHEMBL5232665 0.83 TSHR (0.38) TSHRPTK2BNPSR1SMN1; SMN2CASP3

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 6 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-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 WO 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 3599/4885HPGD 1241/4885

“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.