SCHEMBL13192084

SCHEMBL13192084

Fc1ccc2nc(C(F)(F)F)nc(NCCc3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.50
▸ CCNE2 O96020 4/20 0.49
▸ CCNE1 P24864 4/20 0.49
▸ CDK2 P24941 4/20 0.49
▸ CCNA2 P20248 1/20 0.49
▸ CCNA1 P78396 1/20 0.49
▸ TLR7 Q9NYK1 2/20 0.46
▸ PDE2A O00408 1/20 0.45
▸ CCNC P24863 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ GRK6 P43250 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ MCHR1 Q99705 1/20 0.43
▸ ACP1 P24666 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ TCF7L2 Q9NQB0 1/20 0.41
▸ APP P05067 1/20 0.40

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
SCHEMBL13171126 0.89 HTT (0.49) HTTCCNE2CCNE1CDK2CCNA2
SCHEMBL9921328 0.87 KRAS (0.50) HTTPDE2ACCNCCDK8GRK6
SCHEMBL9921339 0.86 HTT (0.51) HTTPDE2ACCNCCDK8GRK6
SCHEMBL9921340 0.85 HTT (0.50) HTTPDE2ACCNCCDK8GRK6
SCHEMBL9921377 0.82 HTT (0.74) HTTCCNCCDK8LMNAAPP
SCHEMBL9921433 0.75 HTT (0.64) HTTCCNCCDK8MCHR1LMNA
SCHEMBL9921338 0.74 PDE2A (0.45) HTTPDE2ACCNCCDK8ACP1
SCHEMBL13171146 0.71 HTT (0.53) HTTGRK6LMNAMAPTCTNNB1
SCHEMBL9921332 0.71 PDE2A (0.47) HTTPDE2ACCNCCDK8ACP1
SCHEMBL13171145 0.71 HTT (0.52) HTTGRK6LMNAMAPTCTNNB1

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-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2012-10-11 — — 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-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof ATG7, BECN1, SQSTM1 HTT 4078/4885CCNE2 3624/4885CCNE1 3335/4885

“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.

Send feedback