SCHEMBL489678

SCHEMBL489678

Cc1cccc(CSc2nc(Cl)cc(Cl)n2)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
CXCR2 P25025 2/20 0.40
RXRA P19793 5/20 0.40
RXRB P28702 4/20 0.40
RXRG P48443 4/20 0.40
PPARA Q07869 4/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 3/20 0.39
PPARD Q03181 3/20 0.39
ALDH1A1 P00352 2/20 0.39
PPARG P37231 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 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 0.85 CXCR2 (0.49) MEN1KMT2ACXCR2HPGDMGAM
SCHEMBL490032 0.85 CXCR2 (0.47) MEN1KMT2ACXCR2MGAMGAA
SCHEMBL27605617 0.85 L3MBTL1 (0.43) MEN1KMT2ASMN1; SMN2CXCR2CYP3A4
SCHEMBL489739 0.82 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2CXCR2CYP3A4
SCHEMBL490206 0.82 ALPL (0.44) MEN1KMT2ASMN1; SMN2CXCR2RXRA
SCHEMBL490121 0.80 KDM1A (0.38) MEN1KMT2ACXCR2NPC1RAB9A
SCHEMBL1487403 0.77 TOP2A (0.39) MEN1KMT2ASMN1; SMN2CXCR2HPGD
SCHEMBL1487070 0.77 CXCR2 (0.43) MEN1KMT2ACXCR2MGAMGAA
SCHEMBL6637294 0.77 CYP1A2 (0.56) MEN1KMT2ASMN1; SMN2CYP3A4CYP2D6
SCHEMBL490086 0.76 MPO (0.48) MEN1KMT2ASMN1; SMN2CXCR2ALDH1A1

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 MEN1 3586/4885KMT2A 3621/4885SMN1; SMN2 3600/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 MEN1 3586/4885KMT2A 3621/4885SMN1; SMN2 3600/4885

“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.