SCHEMBL2740558

SCHEMBL2740558

CN1CCC(NC(=O)c2ccc3c(c2)C2(CCCC2)CC(c2cc(F)ccc2Br)N3)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 2/20 0.59
PRKAA1 Q13131 2/20 0.59
PRKAB1 Q9Y478 2/20 0.59
PRKAB2 O43741 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
CRBN Q96SW2 1/20 0.40
DYRK1A Q13627 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NAMPT P43490 3/20 0.38
ACKR3 P25106 1/20 0.37
MAPK14 Q16539 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1F P30939 1/20 0.36
WNT1 P04628 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL47185 0.92 PRKAG1 (0.60) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL47182 0.92 PRKAG1 (0.59) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL47269 0.89 PRKAG1 (0.63) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL47184 0.86 PRKAG1 (0.62) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL47189 0.85 PRKAG1 (0.62) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2740560 0.85 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2740561 0.84 PRKAG1 (0.60) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2740534 0.83 PRKAG1 (0.66) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL47231 0.82 PRKAG1 (0.65) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL47232 0.82 PRKAG1 (0.59) 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 2 patents. 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
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.