SCHEMBL489784

SCHEMBL489784

COc1ccc(CSc2nc(N)cc(=O)[nH]2)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 4/20 0.51
MMP13 P45452 1/20 0.51
SCN5A Q14524 1/20 0.50
GRIN2C Q14957 1/20 0.50
FABP3 P05413 1/20 0.50
FABP4 P15090 1/20 0.50
KLK7 P49862 1/20 0.50
USP2 O75604 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL489710 0.76 CXCR2 (0.67) SCN9AMEN1KMT2ALMNASCN5A
SCHEMBL489972 0.74 RAB9A (0.45) MEN1KMT2ALMNA
SCHEMBL489686 0.71 MEN1 (0.77) SCN9AMEN1KMT2ALMNASCN5A
SCHEMBL489952 0.68 MEN1 (0.81) SCN9AMEN1KMT2ALMNASCN5A
SCHEMBL22640065 0.68 SCN9A (0.67) SCN9AMEN1KMT2ALMNAMMP13
SCHEMBL15693614 0.68 SMN1; SMN2 (0.67) MEN1KMT2ALMNAKDM4E
SCHEMBL30776798 0.68 LMNA (1.00) SCN9AMEN1KMT2ALMNAMMP13
SCHEMBL26068379 0.68 LMNA (0.43) MEN1KMT2ALMNAMMP13FABP3
SCHEMBL24191085 0.67 SCN9A (0.78) SCN9AMEN1KMT2ALMNASCN5A
SCHEMBL8132364 0.65 POLB (0.46) MEN1KMT2A

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 7 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
EP-1527051-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Astrazeneca AB (SE) 2005-05-04 EP disclosed
WO-2004011443-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2004-02-05 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 (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 SCN9A 2944/4885MEN1 3586/4885KMT2A 3621/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 SCN9A 2944/4885MEN1 3586/4885KMT2A 3621/4885

“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.