SCHEMBL9921338

SCHEMBL9921338

FCc1nc(NCCc2ccc(C(F)(F)F)cc2)c2cc(F)cnc2n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.45
▸ HTT P42858 1/20 0.40
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ AURKA O14965 3/20 0.36
▸ AURKB Q96GD4 3/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ FLT1 P17948 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ APP P05067 1/20 0.34
▸ TRPV1 Q8NER1 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
SCHEMBL9921332 0.87 PDE2A (0.47) PDE2AHTTCCNCCDK8EGFR
SCHEMBL13171179 0.86 HTT (0.41) HTT
SCHEMBL9921422 0.85 HTT (0.50) PDE2AHTTCCNCCDK8EGFR
SCHEMBL9921324 0.85 PDE2A (0.44) PDE2AHTTCCNCCDK8EGFR
SCHEMBL9921339 0.83 HTT (0.51) PDE2AHTTCCNCCDK8ACP1
SCHEMBL13171141 0.74 MAPT (0.42) HTT
SCHEMBL13192084 0.74 HTT (0.50) PDE2AHTTCCNCCDK8ACP1
SCHEMBL9921423 0.73 HTT (0.47) HTTEGFRAPP
SCHEMBL9921444 0.73 EGFR (0.45) PDE2AHTTEGFRAURKAAURKB
SCHEMBL9921333 0.73 HTT (0.53) PDE2AHTTEGFRAURKAAURKB

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 3 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
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 PDE2A 3240/4885HTT 4078/4885CCNC 3396/4885

“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.

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