SCHEMBL5435124

SCHEMBL5435124

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.49
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
METAP2 P50579 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TP53 P04637 1/20 0.46
RNASEH1 O60930 1/20 0.44
CTSB P07858 4/20 0.43
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL5444037 0.87 CXCR2 (0.49) CXCR2POLBLMNAMETAP2NPC1
SCHEMBL5442314 0.80 CXCR2 (0.61) CXCR2POLBLMNAMETAP2RNASEH1
SCHEMBL3855027 0.74 NPC1 (0.47) CXCR2LMNANPC1RAB9ASMN1; SMN2
SCHEMBL5442268 0.71 CXCR2 (0.51) CXCR2
SCHEMBL6422704 0.71 LMNA (0.40) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2060411 0.68 TP53 (0.53) POLBLMNAMETAP2NPC1RAB9A
SCHEMBL30716878 0.68 RAB9A (0.51) CXCR2POLBLMNAMETAP2NPC1
SCHEMBL4152240 0.68 RAB9A (0.51) CXCR2POLBLMNAMETAP2NPC1
SCHEMBL5450296 0.66 RAB9A (0.68) CXCR2POLBNPC1RAB9ASMN1; SMN2
SCHEMBL10777556 0.65 METAP2 (0.47) POLBLMNAMETAP2NPC1RAB9A

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 4 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
CN-1856499-A New 2-substituted, 4-amino-thiazolo[4,5-d] pyrimidines, useful as chemokine receptor antagonists, esp. cx3cr1 ASTRAZENECA AB (SE) 2006-11-01 CN 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.