SCHEMBL5494392

SCHEMBL5494392

N#CCNc1c(N)nc(SCc2cccc(Cl)c2F)nc1SCc1cccc(Cl)c1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 13/20 0.43
CX3CR1 P49238 2/20 0.39
HTR1B P28222 1/20 0.39
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CXCR1 P25024 1/20 0.33

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
SCHEMBL5499308 0.89 CXCR2 (0.43) CXCR2CX3CR1CXCR1
SCHEMBL5491796 0.80 CXCR2 (0.45) CXCR2CX3CR1HTR1BALDH1A1POLB
SCHEMBL5500216 0.78 RAB9A (0.47) CXCR2ALDH1A1POLBGAAMEN1
SCHEMBL490197 0.69 CXCR2 (0.49) CXCR2CX3CR1HTR1BGAAMEN1
SCHEMBL5500266 0.69 CXCR2 (0.53) CXCR2CX3CR1HTR1B
SCHEMBL490086 0.69 MPO (0.48) CXCR2CX3CR1HTR1BALDH1A1POLB
SCHEMBL5497236 0.67 CXCR2 (0.49) CXCR2CX3CR1CXCR1
SCHEMBL489580 0.67 CXCR2 (0.50) CXCR2CX3CR1HTR1BGAAMEN1
SCHEMBL3854052 0.67 CXCR2 (0.54) CXCR2CX3CR1HTR1BALDH1A1MEN1
SCHEMBL1487257 0.64 CXCR2 (0.48) CXCR2CX3CR1HTR1BALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328319-B1 7-AMINO-2-ALKYLTHIOPTERIDIN-4-YL-AMINES FOR THE TREATMENT OF CHEMOKINE-RELATED DISEASES ASTRAZENECA AB (SE) 2007-01-03 EP disclosed
US-7071193-B2 7-amino-2-alkylthiopteridin-4-yl-amines for the treatment of chemokine-related diseases ASTRAZENECA AB (SE) 2006-07-04 US disclosed
US-20040102447-A1 7-amino-2-alkylthiopteridin-4-yl-amines for the treatment of chemokine-related diseases ASTRAZENECA AB (SE) 2004-05-27 US 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-20040102447-A1 7-amino-2-alkylthiopteridin-4-yl-amines for the treatment of chemokine-related diseases CXCR3, CXCR2, CCR2 CXCR2 2/4885CX3CR1 29/4885HTR1B 1085/4885

“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.