SCHEMBL5494013

SCHEMBL5494013

Nc1nc(SCc2ccccc2)nc(SCc2ccccc2)c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
NPC1 O15118 3/20 0.60
CXCR2 P25025 1/20 0.55
HSP90AA1 P07900 1/20 0.54
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.47
PIN1 Q13526 1/20 0.47
PPARG P37231 1/20 0.47
PAK4 O96013 2/20 0.46
ABCB1 P08183 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MPO P05164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CDC7 O00311 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
SCHEMBL5450296 0.90 RAB9A (0.68) RAB9ASMN1; SMN2NPC1CXCR2HSP90AA1
SCHEMBL6359047 0.82 RAB9A (0.58) RAB9ASMN1; SMN2NPC1CXCR2HSP90AA1
SCHEMBL13752162 0.78 RAB9A (0.70) RAB9ASMN1; SMN2NPC1CXCR2HSP90AA1
SCHEMBL28853540 0.76 RAB9A (0.64) RAB9ASMN1; SMN2NPC1CXCR2HSP90AA1
SCHEMBL3860316 0.75 RAB9A (0.58) RAB9ASMN1; SMN2NPC1CXCR2HSP90AA1
SCHEMBL10882423 0.75 RAB9A (1.00) RAB9ASMN1; SMN2NPC1CXCR2HSP90AA1
SCHEMBL5500216 0.75 RAB9A (0.47) RAB9ASMN1; SMN2NPC1CXCR2HSP90AA1
SCHEMBL8133016 0.75 HSP90AA1 (0.56) RAB9ASMN1; SMN2NPC1CXCR2HSP90AA1
SCHEMBL8124942 0.73 HSP90AA1 (0.50) RAB9ASMN1; SMN2NPC1CXCR2HSP90AA1
SCHEMBL4152240 0.73 RAB9A (0.51) RAB9ASMN1; SMN2NPC1CXCR2HSP90AA1

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 3 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

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.