SCHEMBL4402971

SCHEMBL4402971

CC(=O)c1cc(C)c2[nH]nc(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.41
ADORA2B P29275 3/20 0.41
CA5A P35218 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
SLC2A1 P11166 1/20 0.34
KIF11 P52732 1/20 0.34
LMNA P02545 3/20 0.32
DAO P14920 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TTR P02766 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
SCHEMBL30809494 0.86 ADORA2A (0.41) ADORA2AADORA2BLMNADAOHCAR2
SCHEMBL1145053 0.86 ADORA2A (0.41) ADORA2AADORA2BLMNADAOHCAR2
SCHEMBL4404643 0.83 PRKAB2 (0.35) CA5ASMN1; SMN2SLC2A1KIF11LMNA
SCHEMBL4403769 0.82 LMNA (0.49) ADORA2AADORA2BCA5ASMN1; SMN2LMNA
SCHEMBL4140051 0.81 ADORA2A (0.38) ADORA2AADORA2BLMNA
SCHEMBL4402977 0.81 ADORA2A (0.38) ADORA2AADORA2BSMN1; SMN2LMNAL3MBTL1
SCHEMBL16308650 0.74 KIF11 (0.50) ADORA2AADORA2BSLC2A1KIF11PRKAB2
SCHEMBL25367875 0.71 ADORA2A (0.41) ADORA2AADORA2BLMNADAOHCAR2
SCHEMBL1145133 0.71 TTR (0.43) ADORA2AADORA2BLMNADAOHCAR2
SCHEMBL4404559 0.70 ACACB (0.46)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-06-04 US disclosed
WO-2012056372-A1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-05-03 WO 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-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ADORA2A 3356/4885ADORA2B 2837/4885CA5A 1123/4885

“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.