SCHEMBL1069237

SCHEMBL1069237

O=Cc1ncnc2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.40
EGFR P00533 1/20 0.39
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NPC1 O15118 2/20 0.39
HSP90AA1 P07900 2/20 0.39
ERN1 O75460 2/20 0.39
MEN1 O00255 1/20 0.39
IDO1 P14902 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.35
TNNI3K Q59H18 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PARP1 P09874 2/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL1068372 0.72 PI4KA (0.50) ALDH1A1KMT2AEGFRL3MBTL1NPC1
SCHEMBL1716704 0.72 CCR1 (0.55) ALDH1A1KMT2AKDM4EL3MBTL1NPC1
SCHEMBL31132323 0.71 KDM4E (0.52) KMT2AKDM4EL3MBTL1NPC1HSP90AA1
SCHEMBL2008893 0.71 KDM4E (0.52) KMT2AKDM4EL3MBTL1NPC1HSP90AA1
SCHEMBL6371727 0.71 EGFR (0.40) ALDH1A1KMT2AEGFRKDM4EL3MBTL1
SCHEMBL2013872 0.69 CCR1 (0.33) CCR1CCR8
SCHEMBL6837820 0.69 EGFR (0.41) ALDH1A1KMT2AEGFRKDM4EL3MBTL1
SCHEMBL2210491 0.69 EGFR (0.41) ALDH1A1KMT2AEGFRKDM4EL3MBTL1
SCHEMBL12559949 0.69 EGFR (0.41) ALDH1A1KMT2AEGFRKDM4EL3MBTL1
SCHEMBL2041433 0.69 PI4KA (0.52) ALDH1A1KMT2AEGFRKDM4EHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014145512-A2 POTENT SMALL MOLECULE INHIBITORS OF AUTOPHAGY, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-18 WO disclosed
US-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2012-10-11 US disclosed
WO-2012079079-A1 PRODUCTION OF INDUCED PLURIPOTENT STEM CELLS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-06-14 WO disclosed
EP-2456761-A2 POTENT SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND METHODS OF USE THEREOF President and Fellows of Harvard College (US) 2012-05-30 EP disclosed
WO-2011011522-A2 POTENT SMALL MOLECULE INHIBITORS OF AUTOPHAGY, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-01-27 WO 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-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof ATG7, BECN1, SQSTM1 ALDH1A1 4492/4885KMT2A 4516/4885EGFR 2099/4885

“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.