SCHEMBL21847643

SCHEMBL21847643

CC(C)(C)OC(=O)N1Cc2cccnc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.43
GPR119 Q8TDV5 3/20 0.42
DTYMK P23919 1/20 0.40
ADAM17 P78536 1/20 0.39
MAPT P10636 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
IDH1 O75874 2/20 0.37
NAMPT P43490 1/20 0.37
GRM5 P41594 1/20 0.37
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 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
SCHEMBL13502699 0.82 MAPK1 (0.42) MAPK1POLBGPR119IDH1
SCHEMBL15467107 0.80 POLB (0.44) MAPK1POLBGPR119DTYMKDDB1
SCHEMBL21847688 0.78 PIK3CA (0.40) MAPK1GPR119DDB1CRBNGRM5
SCHEMBL21847679 0.77 ESR2 (0.40) MAPK1GPR119DDB1CRBNPIK3CA
SCHEMBL29226277 0.77 PIK3CA (0.39) MAPK1GPR119DDB1CRBNNAMPT
SCHEMBL23771943 0.77 KDM4E (0.51) MAPK1NAMPTPIK3CAMTOR
SCHEMBL29814717 0.77 KDM4E (0.51) MAPK1NAMPTPIK3CAMTOR
SCHEMBL3232990 0.76 POLB (0.43) MAPK1POLBGPR119DTYMKMAPT
SCHEMBL21847682 0.75 PIK3CA (0.38) MAPK1DDB1CRBNNAMPTPIK3CA
SCHEMBL29226367 0.75 PIK3CA (0.38) MAPK1GPR119DDB1CRBNPIK3CA

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 MAPK1 1253/4885POLB 1809/4885GPR119 1173/4885

“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.