SCHEMBL3852995

SCHEMBL3852995

Nc1nc(SCc2cccc(F)c2F)nc(N)c1N

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.49
CCR7 P32248 3/20 0.47
CXCR1 P25024 1/20 0.47

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
SCHEMBL5497236 0.91 CXCR2 (0.49) CXCR2CCR7CXCR1
SCHEMBL3853163 0.84 RAB9A (0.57) CXCR2CCR7CXCR1
SCHEMBL3855926 0.84 CXCR2 (0.45) CXCR2CCR7CXCR1
SCHEMBL5191224 0.80 CXCR2 (0.69) CXCR2CCR7
SCHEMBL490008 0.79 NPC1 (0.48) CXCR2CCR7CXCR1
SCHEMBL5951413 0.79 RAB9A (0.51) CXCR2CCR7CXCR1
SCHEMBL2899683 0.79 NPC1 (0.48) CXCR2CCR7CXCR1
SCHEMBL490245 0.78 CXCR2 (0.50) CXCR2CCR7
SCHEMBL490032 0.78 CXCR2 (0.47) CXCR2CCR7
SCHEMBL5491796 0.77 CXCR2 (0.45) CXCR2CCR7

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
US-20060111569-A1 Thiazolopyrimidines and their use as modulators of chemokine receptor activity BONNERT ROGER 2006-05-25 US disclosed
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-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-20040157853-A1 Thiazolopytimidines and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-08-12 US 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
US-20030055250-A1 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB (SE) 2003-03-20 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
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
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 (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 16/4885CXCR1 3/4885
US-20040157853-A1 Thiazolopytimidines and their use as modulators of chemokine receptor activity CCR5, CCR2, CX3CR1 CXCR2 5/4885CCR7 17/4885CXCR1 4/4885
US-20030040523-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity CCR5, CXCR1, CXCR4 CXCR2 4/4885CCR7 13/4885CXCR1 2/4885
US-20050234077-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR2 CXCR2 3/4885CCR7 12/4885CXCR1 2/4885
US-20030055250-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 CXCR2 1307/4885CCR7 369/4885CXCR1 936/4885
US-20050171345-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 CXCR2 1307/4885CCR7 369/4885CXCR1 936/4885

“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.