SCHEMBL25720179

SCHEMBL25720179

COc1c(C(=O)Nc2ccncc2)c(=O)n(CC(C)C)c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.77
ALOX15 P16050 1/20 0.77
HIF1A Q16665 1/20 0.55
HTT P42858 8/20 0.55
ALDH1A1 P00352 6/20 0.55
LMNA P02545 6/20 0.55
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
KDM4E B2RXH2 4/20 0.49
GAA P10253 3/20 0.49
USP2 O75604 2/20 0.49
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL25720176 0.90 HSP90AA1 (0.63) HSP90AA1ALOX15HTTALDH1A1LMNA
SCHEMBL25720792 0.88 HSP90AA1 (0.59) HSP90AA1ALOX15HTTALDH1A1LMNA
SCHEMBL25720447 0.87 HSP90AA1 (1.00) HSP90AA1ALOX15HIF1AHTTALDH1A1
SCHEMBL25720201 0.82 HPGD (0.60) HSP90AA1ALOX15HTTALDH1A1LMNA
SCHEMBL25720177 0.82 MEN1 (0.57) HSP90AA1ALOX15HTTALDH1A1LMNA
SCHEMBL25720195 0.82 HSP90AA1 (0.53) HSP90AA1ALOX15HTTALDH1A1LMNA
SCHEMBL25720108 0.81 HSP90AA1 (0.51) HSP90AA1ALOX15HIF1AHTTALDH1A1
SCHEMBL10674540 0.80 HSP90AA1 (0.83) HSP90AA1ALOX15HIF1AHTTALDH1A1
SCHEMBL25720137 0.79 SHMT2 (0.52) HSP90AA1ALOX15HTTALDH1A1LMNA
SCHEMBL25722601 0.78 HSP90AA1 (0.79) HSP90AA1ALOX15HIF1AHTTALDH1A1

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-20230203003-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-29 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-20230203003-A1 Notch Inhibitors and Uses Thereof NOTCH1, NOTCH2, NOTCH4 HSP90AA1 4749/4885ALOX15 1130/4885HIF1A 1418/4885

“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.