SCHEMBL21847689

SCHEMBL21847689

CC(=O)OCc1ccc2c(n1)C(=O)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1H2 P55055 1/20 0.33
ELANE P08246 9/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KDM1A O60341 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL21847682 0.86 PIK3CA (0.38) PIK3CAMTORESR2MEN1KMT2A
SCHEMBL21847679 0.81 ESR2 (0.40) PIK3CAMTORESR2MEN1KMT2A
SCHEMBL22169245 0.80 ELANE (0.32) PIK3CAMTORESR2MEN1KMT2A
SCHEMBL21847688 0.79 PIK3CA (0.40) PIK3CAMTORESR2MEN1KMT2A
SCHEMBL29226277 0.78 PIK3CA (0.39) PIK3CAMTORESR2MEN1KMT2A
SCHEMBL22169255 0.77 ESR2 (0.44) PIK3CAMTORESR2NR1H2HDAC1
SCHEMBL29226367 0.76 PIK3CA (0.38) PIK3CAMTORESR2MEN1KMT2A
SCHEMBL23554273 0.75 NR1H2 (0.41) PIK3CAMTORESR2MEN1KMT2A
SCHEMBL21847643 0.72 MAPK1 (0.45) PIK3CAMTORNAMPT
SCHEMBL15758320 0.70 PDK1 (0.37) ESR2MEN1KMT2ANR1H2ELANE

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-10604519-B2 5,7-dihydro-pyrrolo-pyridine derivatives PFIZER INC. (US) 2020-03-31 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-10604519-B2 5,7-dihydro-pyrrolo-pyridine derivatives CHRM1, CHRM5, CHRM2 PIK3CA 1793/4885MTOR 2801/4885ESR2 1598/4885

“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.