SCHEMBL489736

SCHEMBL489736

Nc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 1.00
MEN1 O00255 6/20 1.00
LMNA P02545 3/20 1.00
USP2 O75604 2/20 1.00
SCN9A Q15858 6/20 0.74
L3MBTL1 Q9Y468 1/20 0.63
TOP2A P11388 2/20 0.59
MAOB P27338 1/20 0.59
CTSB P07858 1/20 0.59
SCN5A Q14524 1/20 0.58
GRIN2C Q14957 1/20 0.58
TSHR P16473 2/20 0.56
DAO P14920 1/20 0.54
RAB9A P51151 1/20 0.53

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
SCHEMBL489952 0.78 MEN1 (0.81) KMT2AMEN1LMNAUSP2SCN9A
SCHEMBL489686 0.76 MEN1 (0.77) KMT2AMEN1LMNAUSP2SCN9A
SCHEMBL6864187 0.75 KMT2A (0.60) KMT2AMEN1LMNAUSP2L3MBTL1
SCHEMBL489710 0.73 CXCR2 (0.67) KMT2AMEN1LMNAUSP2SCN9A
SCHEMBL490003 0.72 MEN1 (0.59) KMT2AMEN1LMNAUSP2L3MBTL1
SCHEMBL6354561 0.70 MEN1 (0.56) KMT2AMEN1LMNAUSP2L3MBTL1
SCHEMBL14486160 0.70 DAO (1.00) KMT2AMEN1LMNAUSP2TOP2A
SCHEMBL22640065 0.70 SCN9A (0.67) KMT2AMEN1LMNAUSP2SCN9A
SCHEMBL27765163 0.70 HPGD (0.73) KMT2ALMNASCN9AL3MBTL1MAOB
SCHEMBL22640100 0.69 KDM4E (0.77) KMT2AMEN1LMNAUSP2SCN9A

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-1527051-B1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8106063-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-01-31 US disclosed
US-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2010-03-11 US disclosed
US-7582644-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 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 (2 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-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ACKR3, GPR17, CCL11 KMT2A 3621/4885MEN1 3586/4885LMNA 4818/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 KMT2A 3621/4885MEN1 3586/4885LMNA 4818/4885

“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.