SCHEMBL9921372

SCHEMBL9921372

Fc1ccc2ncnc(NCCc3ccccc3F)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.62
USP10 Q14694 1/20 0.56
PIK3C3 Q8NEB9 1/20 0.56
USP13 Q92995 1/20 0.56
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
EGFR P00533 2/20 0.49
BRD4 O60885 1/20 0.49
ERBB2 P04626 1/20 0.49
ERBB4 Q15303 1/20 0.49
CCNC P24863 1/20 0.49
CDKN1A P38936 1/20 0.49
CDK8 P49336 1/20 0.49
CDK19 Q9BWU1 1/20 0.49
LMNA P02545 2/20 0.49
APP P05067 1/20 0.49
MAPK1 P28482 1/20 0.49
PIK3CD O00329 1/20 0.47
PIK3R1 P27986 1/20 0.47

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
SCHEMBL9921375 0.90 HTT (0.65) HTTUSP10PIK3C3USP13HDAC1
SCHEMBL13191856 0.88 HTT (0.67) HTTUSP10PIK3C3USP13HDAC1
SCHEMBL9921371 0.88 HTT (0.60) HTTUSP10PIK3C3USP13HDAC1
SCHEMBL9921376 0.88 HTT (0.60) HTTUSP10PIK3C3USP13HDAC1
SCHEMBL7469972 0.87 EGFR (0.51) HTTEGFRBRD4ERBB2ERBB4
SCHEMBL9921350 0.85 HTT (0.58) HTTUSP10PIK3C3USP13HDAC1
SCHEMBL9921370 0.85 MAPK1 (0.59) HTTUSP10PIK3C3USP13EGFR
SCHEMBL8498737 0.85 EGFR (0.59) HTTUSP10PIK3C3USP13EGFR
SCHEMBL13171169 0.84 HTT (0.59) HTTUSP10PIK3C3USP13HDAC1
SCHEMBL9921368 0.81 HTT (0.71) HTTUSP10PIK3C3USP13HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 HTT 4078/4885USP10 1695/4885PIK3C3 186/4885

“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.