SCHEMBL42946

SCHEMBL42946

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 2/20 1.00
PRKAA1 Q13131 2/20 1.00
PRKAB1 Q9Y478 2/20 1.00
IP6K1 Q92551 2/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
IDO1 P14902 3/20 0.34
TDO2 P48775 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMO O15229 1/20 0.33
MDM2 Q00987 2/20 0.33
TP53 P04637 1/20 0.33
SLC6A2 P23975 2/20 0.32
KMT2A Q03164 1/20 0.32
PGR P06401 1/20 0.31
ABCC9 O60706 1/20 0.31
KCNJ11 Q14654 1/20 0.31
TSHR P16473 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
SCHEMBL11025519 0.90 PRKAG1 (0.81) PRKAG1PRKAA1PRKAB1IP6K1PRKAB2
SCHEMBL44986 0.89 PRKAG1 (0.81) PRKAG1PRKAA1PRKAB1IP6K1IDO1
SCHEMBL45039 0.85 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1IP6K1PRKAB2
SCHEMBL15751955 0.85 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL45401 0.85 PRKAG1 (0.74) PRKAG1PRKAA1PRKAB1IP6K1KMT2A
SCHEMBL11025262 0.82 PRKAG1 (0.69) PRKAG1PRKAA1PRKAB1IP6K1PRKAB2
SCHEMBL2740540 0.82 PRKAG1 (0.69) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL15752034 0.78 PRKAG1 (0.63) PRKAG1PRKAA1PRKAB1L3MBTL1MDM2
SCHEMBL11025424 0.76 PRKAG1 (0.61) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL45770 0.76 PRKAG1 (0.61) 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 13 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 claimed
EP-2588458-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-08 EP claimed
WO-2012001020-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-05 WO claimed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
EP-2588458-B1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
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
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
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 (3 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
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS PRKAG1 1921/4885PRKAA1 1000/4885PRKAB1 2744/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 PRKAG1 211/4885PRKAA1 133/4885PRKAB1 208/4885

“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.