SCHEMBL490002

SCHEMBL490002

Nc1cc(Cl)nc(SCc2ccc(F)c(F)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.49
METAP2 P50579 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HSP90AA1 P07900 1/20 0.43
TP53 P04637 1/20 0.42
MPO P05164 1/20 0.41
TOP2A P11388 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
SCN9A Q15858 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
SCHEMBL6642034 0.89 MEN1 (0.55) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL489638 0.83 MEN1 (0.54) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6642168 0.82 MEN1 (0.60) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL1520700 0.82 RAB9A (0.81) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL490003 0.81 MEN1 (0.59) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8134742 0.81 RAB9A (0.51) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6637010 0.80 MEN1 (0.61) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6639242 0.80 MEN1 (0.57) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6637758 0.79 RAB9A (0.79) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL489860 0.79 RAB9A (0.78) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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 9 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
EP-1449835-A2 Alpha-substituted pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2004-08-25 EP disclosed
WO-2004011443-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
EP-1247804-A1 Pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2002-10-09 EP 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 MEN1 3586/4885KMT2A 3621/4885RAB9A 1335/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 MEN1 3586/4885KMT2A 3621/4885RAB9A 1335/4885

“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.