SCHEMBL2899683

SCHEMBL2899683

Nc1cc(O)nc(SCc2cccc(F)c2F)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CXCR2 P25025 18/20 0.47
CCR7 P32248 3/20 0.46
CXCR1 P25024 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
CX3CR1 P49238 1/20 0.42

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
SCHEMBL490245 0.90 CXCR2 (0.50) CXCR2CCR7
SCHEMBL3853163 0.90 RAB9A (0.57) NPC1RAB9ACXCR2CCR7CXCR1
SCHEMBL6354578 0.89 MGAM (0.51) NPC1RAB9ACXCR2SMN1; SMN2CX3CR1
SCHEMBL6639107 0.85 RAB9A (0.51) NPC1RAB9ASMN1; SMN2
SCHEMBL490008 0.84 NPC1 (0.48) NPC1RAB9ACXCR2CCR7CXCR1
SCHEMBL5951413 0.84 RAB9A (0.51) NPC1RAB9ACXCR2CCR7CXCR1
SCHEMBL3754582 0.81 CXCR2 (0.45) NPC1RAB9ACXCR2CCR7CXCR1
SCHEMBL6637576 0.80 NPC1 (0.48) NPC1RAB9ASMN1; SMN2
SCHEMBL6635771 0.79 CYP3A4 (0.56) NPC1RAB9ACXCR2SMN1; SMN2CX3CR1
SCHEMBL1487154 0.79 CXCR2 (0.45) CXCR2CCR7CXCR1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790883-B2 Process for the preparation of thiazolopyrimidines ASTRAZENECA AB (SE) 2010-09-07 US disclosed
US-7790883-B2 Process for the preparation of thiazolopyrimidines ASTRAZENECA AB (SE) 2010-09-07 US disclosed
US-7790883-B2 Process for the preparation of thiazolopyrimidines ASTRAZENECA AB (SE) 2010-09-07 US disclosed
US-20100217000-A1 Process for the Preparation of Thiazolopyrimidines ASTRAZENECA AB (SE) 2010-08-26 US disclosed
US-20100217000-A1 Process for the Preparation of Thiazolopyrimidines ASTRAZENECA AB (SE) 2010-08-26 US disclosed
US-20100217000-A1 Process for the Preparation of Thiazolopyrimidines ASTRAZENECA AB (SE) 2010-08-26 US disclosed
EP-1711505-B1 PROCESS FOR THE PREPARATION OF THIAZOLOPYRIMIDINES ASTRAZENECA AB (SE) 2010-06-23 EP disclosed
EP-1711505-B1 PROCESS FOR THE PREPARATION OF THIAZOLOPYRIMIDINES ASTRAZENECA AB (SE) 2010-06-23 EP disclosed
US-20090239882-A1 Thiazolopyramidine Compounds for the Modulation of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2009-09-24 US disclosed
US-20090043097-A1 Methods ASTRAZENECA AB (SE) 2009-02-12 US disclosed
US-20070282103-A1 Process for the Preparation of Thiazolopyrimidines ASTRAZENECA AB (SE) 2007-12-06 US disclosed
EP-1844054-A2 THIAZOLOPYRIMIDINE COMPOUNDS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2007-10-17 EP 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
EP-1711505-A2 PROCESS FOR THE PREPARATION OF THIAZOLOPYRIMIDINES AstraZeneca AB (SE) 2006-10-18 EP disclosed
WO-2006064228-A2 THIAZOLOPYRAMIDINE COMPOUNDS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2005056563-A2 PROCESS FOR THE PREPARATION OF THIAZOLOPYRIMIDINES ASTRAZENECA AB (SE) 2005-06-23 WO disclosed
US-20050010047-A1 Pteridinone derivatives as modulators of chemokine receptor activity BONNERT ROGER VICTOR (GB) 2005-01-13 US disclosed
EP-1419158-A1 PTERIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Astrazeneca AB (SE) 2004-05-19 EP disclosed
WO-2003024966-A1 PTERIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-03-27 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-20090043097-A1 Methods CYP21A2, CYP17A1, HSD17B7 NPC1 77/4885RAB9A 2396/4885CXCR2 2692/4885
US-20050010047-A1 Pteridinone derivatives as modulators of chemokine receptor activity CCR5, CXCR3, CCR2 NPC1 1970/4885RAB9A 1135/4885CXCR2 11/4885
US-20070282103-A1 Process for the Preparation of Thiazolopyrimidines TPMT, TYMP, DPYD NPC1 1858/4885RAB9A 3258/4885CXCR2 2764/4885
US-20100217000-A1 Process for the Preparation of Thiazolopyrimidines TPMT, TYMP, DPYD NPC1 1354/4885RAB9A 3144/4885CXCR2 2645/4885
US-20070142352-A1 Pteridinone Derivatives as Modulators of Chemokine Receptor Activity CCR5, CXCR3, CCR2 NPC1 1970/4885RAB9A 1135/4885CXCR2 11/4885
US-20090239882-A1 Thiazolopyramidine Compounds for the Modulation of Chemokine Receptor Activity ACKR3, CXCR1, CCL11 NPC1 550/4885RAB9A 1777/4885CXCR2 5/4885

“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.