SCHEMBL21140950

SCHEMBL21140950

COc1ccc2sc(/C=C/c3cnc(N(C)C)nc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 12/20 0.49
ATP4B P51164 12/20 0.49
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
APP P05067 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
INSR P06213 2/20 0.43
RAB9A P51151 2/20 0.43
NCOA1 Q15788 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
DYRK1A Q13627 1/20 0.43

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
SCHEMBL21140914 0.86 APP (0.62) ATP4AATP4BAPP
SCHEMBL21141288 0.86 ATP4A (0.50) ATP4AATP4BMEN1MAPTKMT2A
SCHEMBL21140953 0.83 APP (0.50) ATP4AATP4BMEN1MAPTKMT2A
SCHEMBL21140896 0.81 APP (0.45) ATP4AATP4BAPP
SCHEMBL4017956 0.80 RAB9A (0.54) ATP4AATP4BMEN1MAPTKMT2A
SCHEMBL4017957 0.80 RAB9A (0.54) ATP4AATP4BMEN1MAPTKMT2A
SCHEMBL21141048 0.78 ATP4A (0.47) ATP4AATP4BAPP
SCHEMBL17953950 0.77 APP (0.61) ATP4AATP4BMEN1MAPTKMT2A
SCHEMBL4012221 0.76 RAB9A (0.49) ATP4AATP4BMEN1MAPTKMT2A
SCHEMBL21140910 0.73 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 365/4885MEN1 660/4885

“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.