SCHEMBL3403271

SCHEMBL3403271

COc1cccc2c1C(Nc1ccc3cc(Br)ccc3n1)CO2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XIAP P98170 4/20 0.35
HTR2A P28223 1/20 0.35
ADRA1D P25100 7/20 0.34
ADRA1A P35348 7/20 0.34
ADRA1B P35368 7/20 0.34
FBP1 P09467 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
EGFR P00533 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL3410142 0.88 HTR1A (0.42) HTR2AADRA1DADRA1AADRA1BHTR1A
SCHEMBL3415182 0.83 HTR1A (0.47) ABCG2HTR1A
SCHEMBL4100569 0.82 DOT1L (0.41)
SCHEMBL4115052 0.82 MAPT (0.39)
SCHEMBL4100574 0.81 MAPT (0.37)
SCHEMBL3401615 0.80 PFKFB3 (0.40) XIAPEGFRHTR1A
SCHEMBL3404302 0.80 BACE1 (0.37) XIAPHTR2AHTR1A
SCHEMBL4111414 0.79 HCRTR1 (0.40)
SCHEMBL4104133 0.78 HTR1A (0.37) ADRA1DADRA1AADRA1BEGFRHTR1A
SCHEMBL4103866 0.77 HTR1A (0.39) ADRA1DADRA1AADRA1BEGFRHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-2252372-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-11-24 EP disclosed
WO-2009109502-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 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-20090227583-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B XIAP 2852/4885HTR2A 4/4885ADRA1D 84/4885

“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.