SCHEMBL6354597

SCHEMBL6354597

COc1ccc(CSc2nc(N[C@H](C)CO)c3nc(N)[nH]c3n2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 17/20 0.45
CX3CR1 P49238 3/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1B P28222 1/20 0.40
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCR7 P32248 3/20 0.38
KDM1A O60341 1/20 0.37

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
SCHEMBL6357058 0.84 CXCR2 (0.52) CXCR2CX3CR1CCR7
SCHEMBL6354297 0.83 CXCR2 (0.64) CXCR2CX3CR1HTR1BCCR7
SCHEMBL5494143 0.83 CXCR2 (0.57) CXCR2CX3CR1MAPTSMN1; SMN2LMNA
SCHEMBL6354650 0.82 CXCR2 (0.54) CXCR2CX3CR1MAPTKMT2ALMNA
SCHEMBL6355072 0.81 CXCR2 (0.66) CXCR2CX3CR1MAPTKMT2ALMNA
SCHEMBL7602817 0.81 CXCR2 (0.53) CXCR2CX3CR1CCR7
SCHEMBL6352542 0.81 CXCR2 (0.53) CXCR2CX3CR1CCR7
SCHEMBL3851519 0.77 CXCR2 (0.49) CXCR2CX3CR1MAPTSMN1; SMN2GFER
Hydrochloric Acid SCHEMBL7505611 0.77 CXCR2 (0.48) CXCR2CX3CR1MAPTSMN1; SMN2GFER
SCHEMBL6352383 0.76 CXCR2 (0.67) CXCR2CX3CR1HTR1BCCR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958344-B2 Pyrimidine compounds and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2005-10-25 US claimed
US-20030040523-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2003-02-27 US claimed
EP-1265899-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2002-12-18 EP claimed
WO-2001058902-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-08-16 WO claimed
US-6958344-B2 Pyrimidine compounds and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2005-10-25 US disclosed
US-20050234077-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity ASTRAZENECA AB, A SWEDEN CORPORATION 2005-10-20 US disclosed
US-20030040523-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2003-02-27 US disclosed
EP-1265899-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2002-12-18 EP disclosed
WO-2001058902-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-08-16 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 (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-20030040523-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity CCR5, CXCR1, CXCR4 CXCR2 4/4885CX3CR1 7/4885MAPT 4270/4885
US-20050234077-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR2 CXCR2 3/4885CX3CR1 7/4885MAPT 4320/4885

“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.