SCHEMBL5500216

SCHEMBL5500216

N#CCNc1c(N)nc(SCc2ccccc2)nc1SCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
HSP90AA1 P07900 1/20 0.46
CXCR2 P25025 1/20 0.44
CTSB P07858 1/20 0.42
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 2/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RET P07949 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
SCHEMBL5494392 0.78 CXCR2 (0.43) CXCR2ALDH1A1L3MBTL1TDP1MEN1
SCHEMBL5494013 0.75 RAB9A (0.60) RAB9ASMN1; SMN2NPC1HSP90AA1CXCR2
SCHEMBL5450296 0.71 RAB9A (0.68) RAB9ASMN1; SMN2NPC1HSP90AA1CXCR2
SCHEMBL3860316 0.68 RAB9A (0.58) RAB9ASMN1; SMN2NPC1HSP90AA1CXCR2
SCHEMBL8133016 0.68 HSP90AA1 (0.56) RAB9ASMN1; SMN2NPC1HSP90AA1CXCR2
SCHEMBL13752162 0.67 RAB9A (0.70) RAB9ASMN1; SMN2NPC1HSP90AA1CXCR2
SCHEMBL811481 0.67 ALDH1A1 (0.78) RAB9ASMN1; SMN2NPC1HSP90AA1CXCR2
SCHEMBL4152240 0.66 RAB9A (0.51) RAB9ASMN1; SMN2NPC1HSP90AA1CXCR2
SCHEMBL30716878 0.66 RAB9A (0.51) RAB9ASMN1; SMN2NPC1HSP90AA1CXCR2
SCHEMBL6359047 0.65 RAB9A (0.58) RAB9ASMN1; SMN2NPC1HSP90AA1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328319-B1 7-AMINO-2-ALKYLTHIOPTERIDIN-4-YL-AMINES FOR THE TREATMENT OF CHEMOKINE-RELATED DISEASES ASTRAZENECA AB (SE) 2007-01-03 EP disclosed
US-7071193-B2 7-amino-2-alkylthiopteridin-4-yl-amines for the treatment of chemokine-related diseases ASTRAZENECA AB (SE) 2006-07-04 US disclosed
US-20040102447-A1 7-amino-2-alkylthiopteridin-4-yl-amines for the treatment of chemokine-related diseases ASTRAZENECA AB (SE) 2004-05-27 US disclosed
EP-1328319-A1 7-AMINO-2-ALKYLTHIOPTERIDIN-4-YL-AMINES FOR THE TREATMENT OF CHEMOKINE-RELATED DISEASES AstraZeneca AB (SE) 2003-07-23 EP disclosed
WO-2002032507-A1 7-AMINO-2-ALKYLTHIOPTERIDIN-4-YL-AMINES FOR THE TREATMENT OF CHEMOKINE-RELATED DISEASES ASTRAZENECA AB (SE) 2002-04-25 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 (1 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-20040102447-A1 7-amino-2-alkylthiopteridin-4-yl-amines for the treatment of chemokine-related diseases CXCR3, CXCR2, CCR2 RAB9A 1726/4885SMN1; SMN2 2343/4885NPC1 1374/4885

“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.