SCHEMBL490191

SCHEMBL490191

Nc1cc(Cl)nc(SCc2cccc(Cl)c2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CXCR2 P25025 2/20 0.44
MPO P05164 2/20 0.43
PNMT P11086 1/20 0.42
GAA P10253 3/20 0.42
MGAM O43451 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
PTPRC P08575 1/20 0.39
PTPRG P23470 1/20 0.39

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
SCHEMBL490086 0.86 MPO (0.48) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6641351 0.84 SMN1; SMN2 (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6639259 0.82 NPC1 (0.48) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6637294 0.81 CYP1A2 (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL490008 0.81 NPC1 (0.48) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL1520900 0.80 MPO (0.54) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6642311 0.79 ALDH1A1 (0.46) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6635264 0.78 MAPT (0.60) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL6644471 0.78 KMT2A (0.43) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL489860 0.76 RAB9A (0.78) KMT2AMEN1RAB9ANPC1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 3621/4885MEN1 3586/4885RAB9A 1335/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 KMT2A 3621/4885MEN1 3586/4885RAB9A 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.