SCHEMBL5664005

SCHEMBL5664005

CCCCc1nnc2n1-c1sc3c(c1C(c1ccccc1C)=NC2)CCNC3

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 12/20 0.40
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRK1 P41145 1/20 0.35
PDE4D Q08499 1/20 0.35
TBXAS1 P24557 3/20 0.33
APEX1 P27695 1/20 0.31

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
SCHEMBL5664178 0.91 PTAFR (0.48) PTAFROPRK1PDE4DTBXAS1
SCHEMBL5663501 0.89 PTAFR (0.38) PTAFRHPGDHSD17B10OPRK1PDE4D
SCHEMBL5666605 0.88 PTAFR (0.46) PTAFROPRK1PDE4DTBXAS1
SCHEMBL5665916 0.88 PTAFR (0.36) PTAFRUSP2ALDH1A1HPGDALOX15
SCHEMBL5664204 0.87 PTAFR (0.45) PTAFROPRK1PDE4DTBXAS1
SCHEMBL5663624 0.87 PTAFR (0.45) PTAFROPRK1PDE4DTBXAS1
SCHEMBL5664536 0.85 OPRK1 (0.45) PTAFROPRK1PDE4D
SCHEMBL5663627 0.82 OPRK1 (0.48) PTAFROPRK1PDE4DTBXAS1
SCHEMBL5666050 0.81 BRD4 (0.35) PTAFRHPGDOPRK1
SCHEMBL5663268 0.80 BRD4 (0.34) PTAFRHPGDOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461041-A4 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD (BB) 2006-03-29 EP claimed
EP-1461041-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES Pharmasset Ltd. (BB) 2004-09-29 EP claimed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 US claimed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO claimed

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-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde DERA, DPYD, DHPS PTAFR 3904/4885USP2 1231/4885ALDH1A1 14/4885

“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.