SCHEMBL21847679

SCHEMBL21847679

CC(C)(C)OC(=O)N1Cc2ccc(I)nc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
NR1H2 P55055 2/20 0.36
MAPK1 P28482 1/20 0.34
KDM1A O60341 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC1 Q13547 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
BUB1 O43683 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
CHRM4 P08173 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32
GABRA1 P14867 1/20 0.32

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
SCHEMBL21847688 0.85 PIK3CA (0.40) ESR2PIK3CAMTORNR1H2MAPK1
SCHEMBL29226277 0.84 PIK3CA (0.39) ESR2PIK3CAMTORNR1H2MAPK1
SCHEMBL21847682 0.82 PIK3CA (0.38) ESR2PIK3CAMTORNR1H2MAPK1
SCHEMBL29226367 0.82 PIK3CA (0.38) ESR2PIK3CAMTORNR1H2MAPK1
SCHEMBL23554273 0.81 NR1H2 (0.41) ESR2PIK3CAMTORNR1H2KDM1A
SCHEMBL21847689 0.81 PIK3CA (0.36) ESR2PIK3CAMTORNR1H2KDM1A
SCHEMBL21847643 0.77 MAPK1 (0.45) PIK3CAMTORMAPK1DDB1CRBN
SCHEMBL22169254 0.73 ESR2 (0.47) ESR2PIK3CAMTORNR1H2MAPK1
SCHEMBL21461289 0.73 ESR2 (0.53) ESR2PIK3CAMTORNR1H2MAPK1
SCHEMBL23771943 0.71 KDM4E (0.51) PIK3CAMTORMAPK1KDM1AMEN1

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 ESR2 1598/4885PIK3CA 1793/4885MTOR 2801/4885

“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.