SCHEMBL29601243

SCHEMBL29601243

C#CCn1cnc2nc(Cl)nc(SCCCC)c21

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.34
ATM Q13315 1/20 0.31
PAK1 Q13153 1/20 0.30

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
SCHEMBL22912746 0.85 ADORA2B (0.34) ADORA2BATMPAK1
SCHEMBL22912744 0.83 ADORA2B (0.34) ADORA2BATM
SCHEMBL22912742 0.82 GAA (0.37) ADORA2B
SCHEMBL29601214 0.81 SLC29A1 (0.43)
SCHEMBL22912677 0.76 ADORA2B (0.39) ADORA2B
SCHEMBL29601167 0.76 ALDH1A1 (0.36) PAK1
SCHEMBL22912741 0.71 SLC29A1 (0.36)
SCHEMBL22912743 0.68 SLC29A1 (0.43)
SCHEMBL28669450 0.66 ADORA2A (0.40) ADORA2B
SCHEMBL29601775 0.66 ADORA2B (0.40) ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-08-11 US disclosed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP 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-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF DDB1, HSPBP1, ATIC ADORA2B 987/4885ATM 2560/4885PAK1 3359/4885

“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.