SCHEMBL842708

SCHEMBL842708

CC(CO)Nc1nc(SCc2ccccc2)nc2nc(Br)sc12

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 16/20 0.79
CX3CR1 P49238 11/20 0.79
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL842707 1.00 CXCR2 (0.79) CXCR2CX3CR1MEN1ALDH1A1LMNA
SCHEMBL843107 0.90 CXCR2 (0.67) CXCR2CX3CR1
SCHEMBL842246 0.89 CXCR2 (0.65) CXCR2CX3CR1
SCHEMBL842444 0.88 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL6864634 0.88 CXCR2 (0.77) CXCR2CX3CR1MEN1ALDH1A1LMNA
SCHEMBL842445 0.88 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL842783 0.88 CXCR2 (0.81) CXCR2CX3CR1
SCHEMBL215982 0.88 CX3CR1 (0.80) CXCR2CX3CR1
SCHEMBL215983 0.88 CX3CR1 (0.80) CXCR2CX3CR1
SCHEMBL842345 0.87 CXCR2 (0.66) CXCR2CX3CR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143261-B2 Thiazolo (4,5-D) pyrimidine compounds ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20090281123-A1 NOVEL THIAZOLO (4,5-D) PYRIMIDINE COMPOUNDS NOVEL COMPOUNDS ASTRAZENECA UK LIMITED 2009-11-12 US disclosed
US-20040224961-A1 Novel thiazolo (4,5-D) pyrimidine compounds ASTRAZENECA UK LIMITED, A BRITISH CORPORATION 2004-11-11 US disclosed
US-6790850-B1 Thiazolo(4,5-d)pyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2004-09-14 US disclosed
EP-1222195-B1 NOVEL THIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LTD (GB) 2004-01-14 EP disclosed
EP-1348709-A2 Thiazolo (4,5-D) pyrimidine compounds AstraZeneca UK Limited (GB) 2003-10-01 EP 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 (2 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 2551/4885MEN1 3011/4885
US-20090281123-A1 NOVEL THIAZOLO (4,5-D) PYRIMIDINE COMPOUNDS NOVEL COMPOUNDS TYMS, DPYD, TPMT CXCR2 195/4885CX3CR1 2122/4885MEN1 3472/4885

“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.