SCHEMBL3851650

SCHEMBL3851650

Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.66
CCR7 P32248 5/20 0.43
CX3CR1 P49238 1/20 0.42
CXCR1 P25024 1/20 0.41

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
SCHEMBL3854052 0.89 CXCR2 (0.54) CXCR2CX3CR1
SCHEMBL6343828 0.88 CXCR2 (0.67) CXCR2CCR7CX3CR1
SCHEMBL3860775 0.87 CXCR2 (0.66) CXCR2CCR7
SCHEMBL3858985 0.85 CXCR2 (0.83) CXCR2CCR7CX3CR1
SCHEMBL3853004 0.83 CXCR2 (0.72) CXCR2CCR7CX3CR1
SCHEMBL3857942 0.82 CXCR2 (0.68) CXCR2CCR7CX3CR1
SCHEMBL3851449 0.82 CXCR2 (0.73) CXCR2CCR7CX3CR1
SCHEMBL3861396 0.82 CXCR2 (0.52) CXCR2CX3CR1
SCHEMBL3854713 0.81 CXCR2 (0.72) CXCR2CCR7CX3CR1CXCR1
SCHEMBL3857366 0.81 CXCR2 (0.64) CXCR2CCR7CX3CR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579342-B2 Pteridine compounds for the treatment of psoriasis ASTRAZENECA (SE) 2009-08-25 US disclosed
EP-1419158-B1 PTERIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2007-08-01 EP disclosed
US-20070142352-A1 Pteridinone Derivatives as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2007-06-21 US disclosed
US-20060111569-A1 Thiazolopyrimidines and their use as modulators of chemokine receptor activity BONNERT ROGER 2006-05-25 US disclosed
US-6949643-B2 Thiazolopytimidines and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2005-09-27 US disclosed
US-20050171345-A1 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 US disclosed
US-6875868-B2 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB (SE) 2005-04-05 US disclosed
EP-1385854-B1 THIAZOLOPYRIMIDINES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2005-02-09 EP disclosed
US-20050010047-A1 Pteridinone derivatives as modulators of chemokine receptor activity BONNERT ROGER VICTOR (GB) 2005-01-13 US disclosed
US-20040157853-A1 Thiazolopytimidines and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-08-12 US disclosed
EP-1419158-A1 PTERIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Astrazeneca AB (SE) 2004-05-19 EP disclosed
EP-1385854-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-02-04 EP disclosed
EP-1259512-B1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS ASTRAZENECA AB (SE) 2003-09-24 EP disclosed
WO-2003024966-A1 PTERIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-03-27 WO disclosed
US-20030055250-A1 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB (SE) 2003-03-20 US disclosed
EP-1259512-A1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS AstraZeneca AB (SE) 2002-11-27 EP disclosed
WO-2002083693-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2001062758-A1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS ASTRAZENECA AB (SE) 2001-08-30 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 (6 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-20060111569-A1 Thiazolopyrimidines and their use as modulators of chemokine receptor activity CXCR2, CCR5, CXCR1 CXCR2 1/4885CCR7 16/4885CX3CR1 13/4885
US-20050010047-A1 Pteridinone derivatives as modulators of chemokine receptor activity CCR5, CXCR3, CCR2 CXCR2 11/4885CCR7 6/4885CX3CR1 8/4885
US-20040157853-A1 Thiazolopytimidines and their use as modulators of chemokine receptor activity CCR5, CCR2, CX3CR1 CXCR2 5/4885CCR7 17/4885CX3CR1 3/4885
US-20030055250-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 CXCR2 1307/4885CCR7 369/4885CX3CR1 1991/4885
US-20070142352-A1 Pteridinone Derivatives as Modulators of Chemokine Receptor Activity CCR5, CXCR3, CCR2 CXCR2 11/4885CCR7 6/4885CX3CR1 8/4885
US-20050171345-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 CXCR2 1307/4885CCR7 369/4885CX3CR1 1991/4885

“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.