SCHEMBL5444037

SCHEMBL5444037

COC(=O)c1nc2c(Br)nc(SCc3ccccc3)nc2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.49
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
METAP2 P50579 1/20 0.46
RNASEH1 O60930 1/20 0.44
CTSB P07858 6/20 0.43
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CX3CR1 P49238 1/20 0.40
ERCC1 P07992 1/20 0.39
FEN1 P39748 1/20 0.39
ERCC4 Q92889 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
SCHEMBL5435124 0.87 CXCR2 (0.49) CXCR2POLBLMNAMETAP2RNASEH1
SCHEMBL5442314 0.80 CXCR2 (0.61) CXCR2POLBLMNAMETAP2RNASEH1
SCHEMBL3856241 0.74 CXCR2 (0.61) CXCR2TP53CX3CR1
SCHEMBL5442268 0.69 CXCR2 (0.51) CXCR2CX3CR1
SCHEMBL1806643 0.65 L3MBTL1 (0.56) POLBLMNAMETAP2PKML3MBTL1
SCHEMBL10464789 0.65 L3MBTL1 (0.55) LMNAMETAP2RNASEH1PKML3MBTL1
SCHEMBL10464790 0.64 L3MBTL1 (0.51) METAP2RNASEH1PKML3MBTL1MEN1
SCHEMBL20872587 0.64 L3MBTL1 (0.48) POLBMETAP2RNASEH1PKML3MBTL1
SCHEMBL29628550 0.64 L3MBTL1 (0.48) POLBMETAP2RNASEH1PKML3MBTL1
SCHEMBL20477252 0.63 RNASEH1 (0.68) POLBLMNARNASEH1L3MBTL1MEN1

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
US-20070142386-A1 New 2-substituted, 4-amino-thiazolo[4,5-d] pyrimidines, useful as chemokine receptor antagonists, esp. cx3cr1 ASTRAZENECA (SE) 2007-06-21 US disclosed
EP-1675862-A1 NEW 2-SUBSTITUTED, 4-AMINO-THIAZOLO 4,5-D PYRIMIDINES, USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS, ESP. CX3CR1 AstraZeneca AB (SE) 2006-07-05 EP disclosed
WO-2005033115-A1 NEW 2-SUBSTITUTED, 4-AMINO-THIAZOLO[4,5-D] PYRIMIDINES, USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS, ESP. CX3CR1 ASTRAZENECA AB (SE) 2005-04-14 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-20070142386-A1 New 2-substituted, 4-amino-thiazolo[4,5-d] pyrimidines, useful as chemokine receptor antagonists, esp. cx3cr1 CX3CR1, CCR2, CXCR4 CXCR2 6/4885POLB 2926/4885LMNA 4307/4885

“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.