SCHEMBL6132526

SCHEMBL6132526

O=C(O)c1ccc(-c2nnc(-c3ccc(N4CCN(CC5CCCCC5)CC4)cc3)s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.45
CSNK2A1 P68400 3/20 0.45
TSHR P16473 1/20 0.44
HRH1 P35367 1/20 0.44
CCR3 P51677 1/20 0.44
KCNH2 Q12809 1/20 0.44
USP2 O75604 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CSNK2B P67870 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
CHEK1 O14757 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAP4K1 Q92918 1/20 0.40

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
SCHEMBL6235038 0.99 CSNK2A2 (0.46) CSNK2A2CSNK2A1TSHRHRH1CCR3
SCHEMBL6132282 0.88 PDE4D (0.46) TSHRUSP2ALDH1A1PDE4DPDE7A
SCHEMBL6241221 0.86 USP2 (0.46) TSHRUSP2ALDH1A1PDE4DPDE7A
SCHEMBL6232666 0.86 USP2 (0.55) TSHRHRH1CCR3KCNH2USP2
SCHEMBL6134222 0.83 HRH3 (0.53) CSNK2A2CSNK2A1USP2CSNK2BPDE4D
SCHEMBL6134406 0.83 HRH3 (0.53) CSNK2A2CSNK2A1USP2CSNK2BPDE4D
SCHEMBL7340640 0.82 CSNK2A2 (0.54) CSNK2A2CSNK2A1TSHRUSP2ALDH1A1
SCHEMBL6134912 0.82 USP2 (0.43) CSNK2A2CSNK2A1HRH1CCR3KCNH2
SCHEMBL6135547 0.82 HRH3 (0.52) CSNK2A2CSNK2A1USP2CSNK2BPDE4D
SCHEMBL6132174 0.79 HDAC3 (0.44) TSHRUSP2ALDH1A1

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
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed
CN-1425026-A Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2003-06-18 CN disclosed
US-20030083238-A1 Cyclic hexapeptide derivatives ASTELLAS PHARMA INC. (JP) 2003-05-01 US disclosed
EP-1259535-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2001060846-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20030083238-A1 Cyclic hexapeptide derivatives NGLY1, ALG1, CHIT1 CSNK2A2 1792/4885CSNK2A1 1184/4885TSHR 3037/4885

“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.