SCHEMBL490008

SCHEMBL490008

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CXCR2 P25025 14/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MPO P05164 2/20 0.44
TPO P07202 1/20 0.43
EPX P11678 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCR7 P32248 2/20 0.43
CXCR1 P25024 1/20 0.43

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
SCHEMBL490032 0.90 CXCR2 (0.47) CXCR2MEN1KMT2ACCR7
SCHEMBL3853163 0.90 RAB9A (0.57) NPC1RAB9ACXCR2MEN1KMT2A
SCHEMBL490086 0.89 MPO (0.48) NPC1RAB9ACXCR2MEN1KMT2A
SCHEMBL1520900 0.89 MPO (0.54) NPC1RAB9AMEN1KMT2AMPO
SCHEMBL6640489 0.85 MEN1 (0.55) NPC1RAB9AMEN1KMT2AMPO
SCHEMBL5951413 0.84 RAB9A (0.51) NPC1RAB9ACXCR2MPOSMN1; SMN2
SCHEMBL2899683 0.84 NPC1 (0.48) NPC1RAB9ACXCR2SMN1; SMN2CCR7
SCHEMBL1487070 0.82 CXCR2 (0.43) CXCR2MEN1KMT2ACCR7
SCHEMBL490191 0.81 KMT2A (0.47) NPC1RAB9ACXCR2MEN1KMT2A
SCHEMBL3754582 0.81 CXCR2 (0.45) NPC1RAB9ACXCR2SMN1; SMN2CCR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527051-B1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8106063-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-01-31 US disclosed
US-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2010-03-11 US disclosed
US-7582644-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2009-09-01 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-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 US disclosed
EP-1527051-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Astrazeneca AB (SE) 2005-05-04 EP 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-2004011443-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2004-02-05 WO 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 (4 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-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ACKR3, GPR17, CCL11 NPC1 2790/4885RAB9A 1335/4885CXCR2 38/4885
US-20050010047-A1 Pteridinone derivatives as modulators of chemokine receptor activity CCR5, CXCR3, CCR2 NPC1 1970/4885RAB9A 1135/4885CXCR2 11/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 NPC1 2790/4885RAB9A 1335/4885CXCR2 38/4885
US-20070142352-A1 Pteridinone Derivatives as Modulators of Chemokine Receptor Activity CCR5, CXCR3, CCR2 NPC1 1970/4885RAB9A 1135/4885CXCR2 11/4885

“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.