SCHEMBL24435019

SCHEMBL24435019

COc1cccc(C#Cc2csc(NC(=O)c3cccn3Cc3ccncc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.46
CYP3A4 P08684 3/20 0.46
PRKACA P17612 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
GRM5 P41594 2/20 0.46
ALK Q9UM73 1/20 0.43
ROCK2 O75116 2/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL24435043 0.91 ALK (0.45) ROCK1CYP3A4PRKACAALDH1A1MAPT
SCHEMBL24435096 0.88 GRM5 (0.43) ROCK1GRM5ALKROCK2
SCHEMBL24434761 0.87 GRM5 (0.46) ROCK1PRKACAALDH1A1GRM5ALK
SCHEMBL24434840 0.87 GRM5 (0.45) ROCK1ALDH1A1MAPTGRM5ALK
SCHEMBL24434583 0.85 ALK (0.44) ROCK1ALDH1A1MAPTGRM5ALK
SCHEMBL24434813 0.85 GRM5 (0.58) ROCK1ALDH1A1MAPTGRM5ROCK2
SCHEMBL24434594 0.84 SCN3A (0.45) ROCK1ALDH1A1MAPTGRM5ALK
SCHEMBL24434546 0.83 HPGD (0.40) CYP3A4ALDH1A1MAPTGRM5ALK
SCHEMBL24435112 0.83 NPC1 (0.46) ROCK1ALDH1A1GRM5ROCK2RAB9A
SCHEMBL24435101 0.82 ROCK1 (0.49) ROCK1CYP3A4PRKACAALDH1A1MAPT

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-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 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-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G ROCK1 2147/4885CYP3A4 3223/4885PRKACA 1772/4885

“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.