SCHEMBL6353566

SCHEMBL6353566

O=[N+]([O-])c1c(O)nc(SCc2ccccc2)nc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.51
POLB P06746 2/20 0.49
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.45
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
HSP90AA1 P07900 1/20 0.43
GSTP1 P09211 1/20 0.43
GSTM2 P28161 1/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 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
SCHEMBL1512062 0.82 CTSB (0.51) CTSBPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL6354287 0.76 PAK4 (0.50) CTSBPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL13752162 0.74 RAB9A (0.70) CTSBPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL21274047 0.74 HASPIN (0.40) POLBALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL9776417 0.72 PKM (0.55) CTSBPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL490098 0.72 RAB9A (0.62) CTSBPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL1254621 0.71 HASPIN (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7210897 0.70 S100A4 (0.47) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL18708571 0.70 GSTP1 (0.52) CTSBPOLBALDH1A1SMN1; SMN2MAPT
SCHEMBL6639975 0.70 HSD17B10 (0.53) POLBALDH1A1RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1257555-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-12-03 EP 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-1257555-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2002-11-20 EP disclosed
WO-2001058906-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-08-16 WO 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 (2 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-20030040523-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity CCR5, CXCR1, CXCR4 CTSB 1535/4885POLB 242/4885ALDH1A1 802/4885
US-20050234077-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR2 CTSB 1590/4885POLB 236/4885ALDH1A1 805/4885

“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.