SCHEMBL490003

SCHEMBL490003

Nc1cc(Cl)nc(SCc2cccc(Cl)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 2/20 0.56
USP2 O75604 1/20 0.56
TOP2A P11388 6/20 0.51
CTSB P07858 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
CXCR2 P25025 1/20 0.45
IDO1 P14902 1/20 0.44

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
SCHEMBL489860 0.86 RAB9A (0.78) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6637004 0.86 RAB9A (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6643112 0.86 RAB9A (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6640141 0.86 RAB9A (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6639114 0.86 RAB9A (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL1520700 0.86 RAB9A (0.81) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6354561 0.86 MEN1 (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6637010 0.84 MEN1 (0.61) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8135225 0.83 MEN1 (0.54) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6645041 0.82 RAB9A (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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 14 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
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 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
EP-1527051-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Astrazeneca AB (SE) 2005-05-04 EP disclosed
EP-1449835-A2 Alpha-substituted pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2004-08-25 EP disclosed
WO-2004011443-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2004-02-05 WO 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-1247804-A1 Pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2002-10-09 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 (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 MEN1 3586/4885KMT2A 3621/4885RAB9A 1335/4885
US-20030040523-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity CCR5, CXCR1, CXCR4 MEN1 4682/4885KMT2A 4500/4885RAB9A 2666/4885
US-20050234077-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR2 MEN1 4684/4885KMT2A 4480/4885RAB9A 2676/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 MEN1 3586/4885KMT2A 3621/4885RAB9A 1335/4885

“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.