SCHEMBL45770

SCHEMBL45770

C=CC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)OC)nc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.61
PRKAA1 Q13131 1/20 0.61
PRKAB1 Q9Y478 1/20 0.61
LMNA P02545 3/20 0.32
EGFR P00533 3/20 0.32
ERBB2 P04626 1/20 0.32
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 1/20 0.32
KMT2A Q03164 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.31
CALCRL Q16602 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
SCHEMBL45039 0.90 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1TP53MDM2
SCHEMBL44986 0.86 PRKAG1 (0.81) PRKAG1PRKAA1PRKAB1LMNATSHR
SCHEMBL15752175 0.84 PRKAG1 (0.56) PRKAG1PRKAA1PRKAB1EGFRERBB2
SCHEMBL2740539 0.82 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1TP53MDM2
SCHEMBL44974 0.80 PRKAG1 (0.50) PRKAG1PRKAA1PRKAB1TP53MDM2
SCHEMBL11025262 0.77 PRKAG1 (0.69) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL11025519 0.77 PRKAG1 (0.81) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL11025424 0.76 PRKAG1 (0.61) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL42946 0.76 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1TP53MDM2
SCHEMBL44985 0.75 PRKAG1 (0.53) PRKAG1PRKAA1PRKAB1TP53MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588458-B1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
US-8592594-B2 Tetrahydro-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-26 US disclosed
EP-2588458-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-08 EP disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US disclosed
WO-2012001020-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-05 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-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.