SCHEMBL9921444

SCHEMBL9921444

Cc1cnc2ncnc(NCCc3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.45
▸ PDE2A O00408 1/20 0.44
▸ LMNA P02545 6/20 0.42
▸ HTT P42858 5/20 0.42
▸ GALR3 O60755 1/20 0.42
▸ SLC29A1 Q99808 1/20 0.42
▸ AURKA O14965 2/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KCNK2 O95069 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ APP P05067 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NTRK1 P04629 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
SCHEMBL9921422 0.87 HTT (0.50) EGFRPDE2ALMNAHTTSLC29A1
SCHEMBL9921333 0.86 HTT (0.53) EGFRPDE2ALMNAHTTSLC29A1
SCHEMBL9921323 0.80 HTT (0.52) EGFRLMNAHTTGALR3SLC29A1
SCHEMBL13171100 0.77 HTT (0.56) LMNAHTTGALR3SLC29A1AURKA
SCHEMBL9921332 0.75 PDE2A (0.47) EGFRPDE2ALMNAHTTAURKA
SCHEMBL8541235 0.74 HTT (0.72) EGFRLMNAHTTGALR3AURKA
SCHEMBL9921377 0.74 HTT (0.74) EGFRLMNAHTTAURKAAURKB
SCHEMBL9921324 0.73 PDE2A (0.44) EGFRPDE2AHTTAURKAAURKB
SCHEMBL9921449 0.73 HTT (0.50) EGFRPDE2ALMNAHTTAURKA
SCHEMBL9921423 0.73 HTT (0.47) EGFRLMNAHTTSLC29A1MAPT

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 EGFR 2099/4885PDE2A 3240/4885LMNA 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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