SCHEMBL490206

SCHEMBL490206

COc1cccc(CSc2nc(Cl)cc(Cl)n2)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.44
MAPT P10636 6/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
PLA2G1B P04054 1/20 0.40
POLB P06746 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
CTSB P07858 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
LMNA P02545 3/20 0.39
METAP2 P50579 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 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
SCHEMBL27605804 0.86 L3MBTL1 (0.46) ALPLMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL490047 0.84 ALPL (0.44) ALPLMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL489678 0.82 MEN1 (0.45) HPGDALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL490197 0.81 CXCR2 (0.49) MAPTHPGDCTSBLMNAKMT2A
SCHEMBL490032 0.81 CXCR2 (0.47) KMT2AMEN1CXCR2
SCHEMBL1487166 0.81 CXCR2 (0.44) MAPTKMT2AMEN1CXCR2RXRA
SCHEMBL1487257 0.81 CXCR2 (0.48) MAPTHPGDALDH1A1L3MBTL1PLA2G1B
SCHEMBL490121 0.77 KDM1A (0.38) MAPTLMNAKMT2AMEN1CXCR2
SCHEMBL489779 0.76 CXCR2 (0.34) ALPLALDH1A1POLBCTSBLMNA
SCHEMBL1487403 0.74 TOP2A (0.39) MAPTHPGDALDH1A1SMN1; SMN2HTT

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 ALPL 2275/4885MAPT 3551/4885HPGD 266/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 ALPL 2275/4885MAPT 3551/4885HPGD 266/4885

“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.