SCHEMBL18501331

SCHEMBL18501331

[2H]C1([2H])CC([2H])([2H])C([2H])([2H])Cc2nncn21

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.50

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
SCHEMBL18501332 0.89 PDPK1 (0.55) PDPK1
SCHEMBL18501329 0.89 PDPK1 (0.50) PDPK1
SCHEMBL18501361 0.86 PDPK1 (0.47) PDPK1
SCHEMBL18501326 0.85 PDPK1 (0.55) PDPK1
SCHEMBL18501364 0.85 PDPK1 (0.41) PDPK1
SCHEMBL18501334 0.85 PDPK1 (0.66) PDPK1
SCHEMBL18501338 0.82 PDPK1 (0.62) PDPK1
SCHEMBL18501353 0.81 PDPK1 (0.60) PDPK1
SCHEMBL16253520 0.81 PDPK1 (0.41) PDPK1
SCHEMBL18501335 0.77 PDPK1 (0.66) PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044165-A1 PENTYLENETETRAZOLE DERIVATIVES EMORY UNIVERSITY 2017-02-16 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-20170044165-A1 PENTYLENETETRAZOLE DERIVATIVES SENP7, ACHE, CHRNA9 PDPK1 3260/4885

“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.