SCHEMBL9921415

SCHEMBL9921415

COc1ccc(CCNc2ncnc3ncc(F)cc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.59
▸ POLB P06746 3/20 0.59
▸ LMNA P02545 5/20 0.52
▸ TP53 P04637 3/20 0.52
▸ AURKA O14965 1/20 0.50
▸ RPS6KB1 P23443 1/20 0.50
▸ HTT P42858 6/20 0.49
▸ TSHR P16473 2/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ APP P05067 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NR2F2 P24468 2/20 0.44

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
SCHEMBL9921323 0.87 HTT (0.52) MAPTPOLBLMNATP53HTT
SCHEMBL9921423 0.86 HTT (0.47) MAPTPOLBLMNATP53HTT
SCHEMBL9921325 0.84 HTT (0.55) MAPTPOLBLMNAHTTTSHR
SCHEMBL9921335 0.84 HTT (0.60) MAPTLMNATP53HTTTSHR
SCHEMBL9921422 0.82 HTT (0.50) MAPTPOLBLMNAAURKARPS6KB1
SCHEMBL9921359 0.82 HTT (0.72) MAPTPOLBLMNATP53AURKA
SCHEMBL9921330 0.80 HTT (0.47) MAPTPOLBLMNAAURKARPS6KB1
SCHEMBL13171084 0.80 HTT (0.45) MAPTPOLBLMNATP53HTT
SCHEMBL9921327 0.77 HTT (0.46) MAPTPOLBLMNATP53AURKA
SCHEMBL13171087 0.77 HTT (0.39) MAPTPOLBLMNATP53HTT

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 MAPT 1917/4885POLB 4235/4885LMNA 3469/4885

“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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