SCHEMBL24353217

SCHEMBL24353217

COc1cccc(CN(C)Cc2nc(NC(C)C)c3c(C)c(C)sc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 6/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ HTT P42858 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ROCK1 Q13464 1/20 0.36

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
SCHEMBL24353223 0.90 PKM (0.41) PKMKMT2AMEN1ALDH1A1HTT
SCHEMBL24353221 0.87 PDE4A (0.45) PKMKMT2AMEN1ALDH1A1HTT
SCHEMBL24353227 0.87 ALDH1A1 (0.44) PKMKMT2AMEN1ALDH1A1HTT
SCHEMBL24353218 0.86 ALDH1A1 (0.46) PKMKMT2AMEN1ALDH1A1HTT
SCHEMBL24353322 0.86 ALDH1A1 (0.46) PKMKMT2AMEN1ALDH1A1HTT
SCHEMBL24353182 0.85 ALDH1A1 (0.44) PKMKMT2AMEN1ALDH1A1HTT
SCHEMBL18456786 0.85 PKM (0.45) PKMKMT2AMEN1ALDH1A1HTT
SCHEMBL24353229 0.84 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL24353318 0.84 ALDH1A1 (0.48) ALDH1A1HTTLMNAKDM4ETDP1
SCHEMBL18456744 0.84 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1HTTLMNA

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-11312690-B2 Compounds, compositions, methods for treating diseases, and methods for preparing compounds UNIVERSITY OF LOUSVILLE RESEARCH FOUNDATION, INC. (US) 2022-04-26 — — 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-11312690-B2 Compounds, compositions, methods for treating diseases, and methods for preparing compounds VHL, C5, KRAS PKM 1542/4885KMT2A 1240/4885MEN1 35/4885

“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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