SCHEMBL5236487

SCHEMBL5236487

Clc1nc(SCc2ccccc2)nc2nc(Br)sc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 6/20 0.74
CXCR2 P25025 6/20 0.54
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
PPARG P37231 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
CX3CR1 P49238 6/20 0.43
HSD17B10 Q99714 1/20 0.41
ALOX15 P16050 1/20 0.41
HSP90AA1 P07900 1/20 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
SCHEMBL212610 0.85 PAK4 (1.00) PAK4CXCR2CX3CR1
SCHEMBL6865600 0.83 PAK4 (0.69) PAK4CXCR2MEN1ALDH1A1CYP1A2
SCHEMBL6864817 0.79 PAK4 (0.63) PAK4CXCR2MEN1ALDH1A1CYP1A2
SCHEMBL6859495 0.79 PAK4 (0.63) PAK4CXCR2MEN1ALDH1A1CYP1A2
SCHEMBL6864976 0.78 PAK4 (0.62) PAK4CXCR2MEN1ALDH1A1CYP1A2
SCHEMBL843318 0.77 CXCR2 (0.50) PAK4CXCR2CX3CR1
SCHEMBL6868984 0.76 PAK4 (0.63) PAK4CXCR2RAB9ASMN1; SMN2NPC1
SCHEMBL6866495 0.75 PAK4 (0.58) PAK4CXCR2MEN1ALDH1A1CYP1A2
SCHEMBL6865162 0.75 PAK4 (0.57) PAK4CXCR2MEN1ALDH1A1CYP1A2
SCHEMBL6865140 0.74 PAK4 (0.56) PAK4CXCR2MEN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377590-B1 THIAZOLOPYRIMIDINE DERIVATIVES AND USE THEREOF AS ANTAGONISTS OF THE CX3CR1 RECEPTOR ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-7067657-B2 Thiazolopyrimidine derivatives and use thereof as antagonists of the CX3 CR1 receptor ASTRAZENECA AB (SE) 2006-06-27 US disclosed
US-6806273-B1 5-THIO-THIAZOLO(4,5-D)PYRIMIDIN-7-YL DERIVATIVES; CHEMOKINE RECEPTOR (ESPECIALLY CXCR2) ACTIVITY MODULATORS ASTRAZENECA AB (SE) 2004-10-19 US disclosed
US-20040106628-A1 Novel use ASTRAZENECA AB (SE) 2004-06-03 US disclosed
EP-1377590-A1 THIAZOLOPYRIMIDINE DERIVATIVES AND USE THEREOF AS ANTAGONISTS OF THE CX3 CR1 RECEPTOR AstraZeneca AB (SE) 2004-01-07 EP disclosed
EP-1104425-B1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
WO-2002076990-A1 THIAZOLOPYRIMIDINE DERIVATIVES AND USE THEREOF AS ANTAGONISTS OF THE CX3 CR1 RECEPTOR ASTRAZENECA AB (SE) 2002-10-03 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-20040106628-A1 Novel use CX3CR1, CNR1, ARRB1 PAK4 3711/4885CXCR2 24/4885MEN1 3874/4885

“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.