SCHEMBL21140920

SCHEMBL21140920

CNc1ncc(/C=C/c2nc3cc(OCCF)ccc3s2)cn1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 14/20 0.47
ATP4B P51164 14/20 0.47
APP P05067 6/20 0.46

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
SCHEMBL21141014 0.88 APP (0.57) ATP4AATP4BAPP
SCHEMBL21140914 0.86 APP (0.62) ATP4AATP4BAPP
SCHEMBL21141285 0.83 APP (0.66) ATP4AATP4BAPP
SCHEMBL21140910 0.82 ATP4A (0.49) ATP4AATP4BAPP
SCHEMBL21141286 0.77 APP (0.53) ATP4AATP4BAPP
SCHEMBL17953945 0.73 ATP4A (0.52) ATP4AATP4BAPP
SCHEMBL17953958 0.73 ATP4A (0.52) ATP4AATP4BAPP
SCHEMBL17953951 0.72 INSR (0.67) ATP4AATP4BAPP
SCHEMBL21141419 0.71 APP (0.46) ATP4AATP4BAPP
SCHEMBL21140950 0.71 ATP4A (0.49) ATP4AATP4BAPP

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-10335504-B2 Heterocyclic molecules for biomedical imaging and therapeutic applications WASHINGTON UNIVERSITY (US) 2019-07-02 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-10335504-B2 Heterocyclic molecules for biomedical imaging and therapeutic applications APP, PSEN1, BACE1 ATP4A 421/4885ATP4B 365/4885APP 1/4885

“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.