SCHEMBL4082463

SCHEMBL4082463

O=C1CC(=O)NC(SCc2cccc(F)c2F)=N1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 16/20 0.47
CHRM5 P08912 1/20 0.43
CX3CR1 P49238 1/20 0.43
POLB P06746 1/20 0.40
DNMT1 P26358 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PKM P14618 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
SCHEMBL22275697 0.86 POLB (0.46) POLBDNMT1CTDSP1TDP1KMT2A
SCHEMBL7002158 0.76 POLB (0.45) POLBDNMT1CTDSP1TDP1KMT2A
SCHEMBL22275638 0.73 CTSB (0.40) POLBDNMT1CTDSP1TDP1KMT2A
SCHEMBL6351788 0.71 GUCY1A1 (0.46) CXCR2
SCHEMBL6359835 0.71 CXCR2 (0.44) CXCR2
SCHEMBL489710 0.65 CXCR2 (0.67) CXCR2KMT2AMEN1
SCHEMBL3456686 0.65 CXCR2 (0.44) CXCR2KMT2AKDM4EMEN1ALDH1A1
SCHEMBL13980530 0.65 CXCR2 (0.41) CXCR2CHRM5CX3CR1
SCHEMBL28010834 0.64 KMT2A (0.54) CXCR2KMT2AMEN1
SCHEMBL4373932 0.64 CXCR2 (0.54) CXCR2CHRM5CX3CR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482355-B2 Asthma, antiallergens; rheumatoid arthritis and atherosclerosis; 2-(Benzylthio)-6-{[(1R)-2-hydroxy-1-methylethyl]amino}-4-pyrimidinol ASTRAZENECA AB (SE) 2009-01-27 US disclosed
EP-1539713-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2007-12-19 EP disclosed
US-20060004030-A1 Pyrimidine derivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2006-01-05 US disclosed
EP-1539713-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Astrazeneca AB (SE) 2005-06-15 EP disclosed
WO-2004018435-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2004-03-04 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 (1 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-20060004030-A1 Pyrimidine derivatives as modulators of chemokine receptor activity CXCR2, CXCR1, ACKR3 CXCR2 1/4885CHRM5 2692/4885CX3CR1 15/4885

“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.