SCHEMBL490086

SCHEMBL490086

Nc1cc(Cl)nc(SCc2cccc(Cl)c2F)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CXCR2 P25025 5/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HTR1B P28222 1/20 0.41
CX3CR1 P49238 1/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 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
SCHEMBL490197 0.90 CXCR2 (0.49) CXCR2KMT2AMEN1HTR1BCX3CR1
SCHEMBL490008 0.89 NPC1 (0.48) MPONPC1RAB9ACXCR2KMT2A
SCHEMBL490191 0.86 KMT2A (0.47) MPONPC1RAB9ACXCR2KMT2A
SCHEMBL1520900 0.83 MPO (0.54) MPONPC1RAB9AKMT2AMEN1
SCHEMBL6641351 0.81 SMN1; SMN2 (0.56) MPONPC1RAB9AKMT2AMEN1
SCHEMBL1487257 0.81 CXCR2 (0.48) CXCR2KMT2AMEN1HTR1BCX3CR1
SCHEMBL6639259 0.80 NPC1 (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6640489 0.79 MEN1 (0.55) MPONPC1RAB9AKMT2AMEN1
SCHEMBL489580 0.79 CXCR2 (0.50) CXCR2KMT2AMEN1HTR1BCX3CR1
SCHEMBL6637294 0.79 CYP1A2 (0.56) NPC1RAB9AKMT2AMEN1SMN1; 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
CN-100345829-C Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2007-10-31 CN disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 US disclosed
CN-1681795-A Pyrimidyl sulfonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2005-10-12 CN 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 MPO 2196/4885NPC1 2790/4885RAB9A 1335/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 MPO 2196/4885NPC1 2790/4885RAB9A 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.