SCHEMBL2134584

SCHEMBL2134584

CC1(C)CC(c2ccccc2Br)Nc2ccc(C#N)cc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.37
F10 P00742 1/20 0.37
F11 P03951 1/20 0.37
CYP11B2 P19099 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CDK1 P06493 1/20 0.33
MARK3 P27448 1/20 0.33
AXL P30530 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
MARK2 Q7KZI7 1/20 0.33
SLK Q9H2G2 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
KDM1A O60341 2/20 0.33
PGR P06401 6/20 0.32
ABCB1 P08183 2/20 0.31
RCOR1 Q9UKL0 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
SCHEMBL2135630 0.86 F7 (0.37) F7F10F11CYP11B2KDM4E
SCHEMBL2730591 0.81 F7 (0.43) F7F10F11CYP11B2KDM1A
SCHEMBL2136527 0.81 CUL4A (0.37) F7F10F11CYP11B2KDM4E
SCHEMBL2141149 0.80 F10 (0.42) F7F10F11CYP11B2KDM4E
SCHEMBL2135919 0.79 PARP14 (0.38) F7F10F11CYP11B2CDK1
SCHEMBL2133078 0.77 PDGFRB (0.40) F7F10F11MAPTPGR
SCHEMBL2133027 0.77 F10 (0.33) F7F10F11CYP11B2
Bicarbonate SCHEMBL16239727 0.77 F10 (0.37) F7F10F11
SCHEMBL2136437 0.76 RARB (0.37) F7F10F11
SCHEMBL2135772 0.76 F10 (0.37) F7F10F11ABCB1

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-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US disclosed
EP-2630124-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-08-28 EP disclosed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 US disclosed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 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-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES PRKAG1, PRKAB1, PRKAG2 F7 4761/4885F10 4686/4885F11 4766/4885

“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.