SCHEMBL3263306

SCHEMBL3263306

CCCC(CO)N(C)c1nc(SC(C)c2ccc(Cl)nc2)nc2nc(N)sc12

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 17/20 0.45
CX3CR1 P49238 14/20 0.45
ADORA1 P30542 1/20 0.43
PAK4 O96013 1/20 0.36

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
SCHEMBL2110308 1.00 CXCR2 (0.45) CXCR2CX3CR1ADORA1PAK4
SCHEMBL10020958 0.85 CXCR2 (0.47) CXCR2CX3CR1ADORA1PAK4
SCHEMBL2106415 0.82 CX3CR1 (0.65) CXCR2CX3CR1ADORA1
SCHEMBL12022773 0.82 CXCR2 (0.48) CXCR2CX3CR1
SCHEMBL1858040 0.82 CXCR2 (0.48) CXCR2CX3CR1
SCHEMBL1588550 0.76 CX3CR1 (0.64) CXCR2CX3CR1ADORA1PAK4
SCHEMBL1855048 0.74 PAK4 (0.67) CXCR2CX3CR1PAK4
SCHEMBL1855744 0.71 CXCR2 (0.37) CXCR2CX3CR1PAK4
SCHEMBL1855419 0.70 CXCR2 (0.31) CXCR2CX3CR1
SCHEMBL12628897 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035899-A1 5,7-DISUBSTITUTED[1.3]THIAZOLO[4,5-d]PYRIMIDIN-2(3H)-AMINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2010-02-11 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-20100035899-A1 5,7-DISUBSTITUTED[1.3]THIAZOLO[4,5-d]PYRIMIDIN-2(3H)-AMINE DERIVATIVES AND THEIR USE IN THERAPY CX3CR1, CCR2, CXCR3 CXCR2 8/4885CX3CR1 1/4885ADORA1 83/4885

“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.