SCHEMBL44974

SCHEMBL44974

C=CC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccc(C#N)nc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAB1 Q9Y478 1/20 0.50
IDO1 P14902 4/20 0.33
TDO2 P48775 3/20 0.33
MET P08581 2/20 0.32
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
PGR P06401 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
SCHEMBL11024989 0.87 PRKAG1 (0.54) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL45039 0.82 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL2740539 0.81 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL15752175 0.80 PRKAG1 (0.56) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL45770 0.80 PRKAG1 (0.61) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL11025261 0.72 PRKAG1 (0.56) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL11026040 0.72 PRKAG1 (0.44) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL44985 0.72 PRKAG1 (0.53) PRKAG1PRKAA1PRKAB1TP53MDM2
SCHEMBL15751942 0.72 PRKAG1 (0.49) PRKAG1PRKAA1PRKAB1TP53MDM2
SCHEMBL11025262 0.68 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 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.