SCHEMBL5491796

SCHEMBL5491796

Nc1nc(SCc2cccc(Cl)c2F)nc(SCc2cccc(Cl)c2F)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 7/20 0.45
GAA P10253 3/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HTR1B P28222 1/20 0.40
CX3CR1 P49238 1/20 0.40
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 3/20 0.38
MGAM O43451 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
HTT P42858 1/20 0.38
CCR7 P32248 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MPO P05164 1/20 0.37

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
SCHEMBL5497236 0.86 CXCR2 (0.49) CXCR2CX3CR1CCR7
SCHEMBL5494392 0.80 CXCR2 (0.43) CXCR2GAAALDH1A1POLBHTR1B
SCHEMBL3852995 0.77 CXCR2 (0.49) CXCR2CCR7
SCHEMBL490197 0.77 CXCR2 (0.49) CXCR2GAAHTR1BCX3CR1KMT2A
SCHEMBL5500266 0.77 CXCR2 (0.53) CXCR2HTR1BCX3CR1PKMNPSR1
SCHEMBL490086 0.77 MPO (0.48) CXCR2GAAALDH1A1POLBHTR1B
SCHEMBL489580 0.75 CXCR2 (0.50) CXCR2GAAHTR1BCX3CR1KMT2A
SCHEMBL3849119 0.73 KDM4E (0.42) ALDH1A1
SCHEMBL3854052 0.73 CXCR2 (0.54) CXCR2ALDH1A1HTR1BCX3CR1KMT2A
SCHEMBL27890953 0.71 KMT2A (0.53) CXCR2GAAALDH1A1POLBHTR1B

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
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
EP-1328319-A1 7-AMINO-2-ALKYLTHIOPTERIDIN-4-YL-AMINES FOR THE TREATMENT OF CHEMOKINE-RELATED DISEASES AstraZeneca AB (SE) 2003-07-23 EP disclosed
WO-2002032507-A1 7-AMINO-2-ALKYLTHIOPTERIDIN-4-YL-AMINES FOR THE TREATMENT OF CHEMOKINE-RELATED DISEASES ASTRAZENECA AB (SE) 2002-04-25 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-20040102447-A1 7-amino-2-alkylthiopteridin-4-yl-amines for the treatment of chemokine-related diseases CXCR3, CXCR2, CCR2 CXCR2 2/4885GAA 4368/4885ALDH1A1 923/4885

“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.