SCHEMBL47179

SCHEMBL47179

O=C(c1ccc2c(c1)C1(CC1)CC(c1cc(F)ccc1Br)N2)N1CCOCC1

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
PRKAB2 O43741 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4B Q07343 5/20 0.39
EPHX2 P34913 1/20 0.39
MAPK14 Q16539 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
POLB P06746 1/20 0.38
CNR1 P21554 2/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2740559 0.96 PRKAG1 (0.93) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2740557 0.90 PRKAG1 (0.82) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL47268 0.89 PRKAG1 (0.80) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL46890 0.83 PRKAG1 (0.71) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2740552 0.83 PRKAG1 (0.71) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2740543 0.80 PRKAG1 (0.67) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2740548 0.80 PRKAG1 (0.66) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL47231 0.79 PRKAG1 (0.65) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL46898 0.79 PRKAG1 (0.65) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2740542 0.78 PRKAG1 (0.64) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
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
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
US-20230117831-A1 MULTI-FUNCTIONAL CHIMERIC MOLECULES THE BROAD INSTITUTE, INC. 2023-04-20 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20230117831-A1 MULTI-FUNCTIONAL CHIMERIC MOLECULES PHAX, PAICS, SARS1 PRKAG1 1292/4885PRKAA1 506/4885PRKAB1 2161/4885
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.