SCHEMBL6354578

SCHEMBL6354578

Nc1cc(O)nc(SCc2ccccc2F)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.51
GAA P10253 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
MPO P05164 1/20 0.51
TPO P07202 1/20 0.51
EPX P11678 1/20 0.51
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 4/20 0.45
CTSB P07858 1/20 0.44
TOP2A P11388 1/20 0.44
LMNA P02545 2/20 0.43
CXCR2 P25025 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 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
SCHEMBL2899683 0.89 NPC1 (0.48) RAB9ASMN1; SMN2NPC1CXCR2CX3CR1
SCHEMBL6635771 0.84 CYP3A4 (0.56) GAARAB9ASMN1; SMN2NPC1LMNA
SCHEMBL6639107 0.84 RAB9A (0.51) RAB9ASMN1; SMN2NPC1TP53KDM4E
SCHEMBL13067222 0.83 MGAM (0.51) MGAMGAASIMGAM2MPO
SCHEMBL1520900 0.83 MPO (0.54) MGAMGAASIMGAM2MPO
SCHEMBL6637576 0.82 NPC1 (0.48) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL13402259 0.80 ALDH1A1 (0.56) MPORAB9ASMN1; SMN2NPC1CTSB
SCHEMBL1520770 0.79 RAB9A (0.78) GAARAB9ASMN1; SMN2NPC1TP53
SCHEMBL490245 0.78 CXCR2 (0.50) CXCR2
SCHEMBL3853163 0.78 RAB9A (0.57) MPORAB9ASMN1; SMN2NPC1TP53

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
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
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
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 MGAM 4397/4885GAA 3505/4885SI 3430/4885
US-20050234077-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR2 MGAM 4413/4885GAA 3558/4885SI 3471/4885

“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.