SCHEMBL2740540

SCHEMBL2740540

CCC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccc(OC=O)nc21

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.69
PRKAA1 Q13131 1/20 0.69
PRKAB1 Q9Y478 1/20 0.69
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 3/20 0.32
TDO2 P48775 3/20 0.32
ABCC9 O60706 2/20 0.32
KCNJ11 Q14654 2/20 0.32
KMT2A Q03164 1/20 0.31
PGR P06401 2/20 0.31
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL15751955 0.87 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1TP53MDM2
SCHEMBL2740539 0.86 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1TP53MDM2
SCHEMBL42946 0.82 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1TP53MDM2
SCHEMBL44986 0.81 PRKAG1 (0.81) PRKAG1PRKAA1PRKAB1L3MBTL1IDO1
SCHEMBL15752034 0.81 PRKAG1 (0.63) PRKAG1PRKAA1PRKAB1MDM2L3MBTL1
SCHEMBL45401 0.76 PRKAG1 (0.74) PRKAG1PRKAA1PRKAB1KMT2A
SCHEMBL15752175 0.75 PRKAG1 (0.56) PRKAG1PRKAA1PRKAB1TP53MDM2
SCHEMBL2740541 0.75 PRKAG1 (0.40) PRKAG1PRKAA1PRKAB1TP53MDM2
SCHEMBL25735824 0.72 PRKAG1 (0.82) PRKAG1PRKAA1PRKAB1TP53MDM2
SCHEMBL11025262 0.71 PRKAG1 (0.69) PRKAG1PRKAA1PRKAB1IDO1TDO2

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-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 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-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES GPR119, PRKAB1, PRKAG1 PRKAG1 3/4885PRKAA1 5/4885PRKAB1 2/4885

“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.