SCHEMBL6700903

SCHEMBL6700903

CCC(CC)(CO)Nc1nc(SCc2ccccc2C)nc2[nH]c(=O)sc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 14/20 0.54
CX3CR1 P49238 8/20 0.52
HTR1B P28222 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.38
CXCR1 P25024 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 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
SCHEMBL841891 0.89 CXCR2 (0.56) CXCR2CX3CR1HTR1BSMN1; SMN2CXCR1
SCHEMBL842337 0.75 CXCR2 (0.68) CXCR2CX3CR1HTR1BCXCR1
SCHEMBL4693389 0.74 CXCR2 (0.70) CXCR2CX3CR1HTR1BCXCR1
SCHEMBL4693395 0.74 CXCR2 (0.70) CXCR2CX3CR1HTR1BCXCR1
SCHEMBL841935 0.72 CXCR2 (0.85) CXCR2CX3CR1HTR1B
SCHEMBL5040480 0.72 CXCR2 (0.67) CXCR2CX3CR1HTR1B
SCHEMBL842566 0.70 CXCR2 (0.79) CXCR2CX3CR1HTR1B
SCHEMBL842403 0.70 CXCR2 (1.00) CXCR2CX3CR1HTR1B
SCHEMBL5483535 0.70 CXCR2 (0.77) CXCR2CX3CR1HTR1B
SCHEMBL5483542 0.70 CXCR2 (0.77) CXCR2CX3CR1HTR1B

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-20040224961-A1 Novel thiazolo (4,5-D) pyrimidine compounds ASTRAZENECA UK LIMITED, A BRITISH CORPORATION 2004-11-11 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-20040224961-A1 Novel thiazolo (4,5-D) pyrimidine compounds TYMS, DPYD, TYMP CXCR2 378/4885CX3CR1 2551/4885HTR1B 2100/4885

“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.