SCHEMBL3404459

SCHEMBL3404459

Brc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
CDK1 P06493 1/20 0.42
EGFR P00533 1/20 0.42
PDPK1 O15530 1/20 0.42
IGF1R P08069 1/20 0.41
PFKFB3 Q16875 5/20 0.41
LMNA P02545 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
KCNN3 Q9UGI6 1/20 0.39
GBA1 P04062 1/20 0.39

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
SCHEMBL4106465 1.00 FADS1 (0.43) FADS1DDB1CRBNCDK1EGFR
SCHEMBL3403995 0.85 FADS1 (0.55) FADS1DDB1CRBNEGFRPDPK1
SCHEMBL3401133 0.85 FADS1 (0.43) FADS1DDB1CRBNEGFRPDPK1
SCHEMBL3407115 0.85 FADS1 (0.43) FADS1DDB1CRBNEGFRPDPK1
SCHEMBL3404143 0.85 FADS1 (0.43) FADS1DDB1CRBNEGFRPDPK1
SCHEMBL4098481 0.85 FADS1 (0.43) FADS1DDB1CRBNEGFRPDPK1
SCHEMBL3405685 0.84 HDAC6 (0.40) DDB1CRBNPFKFB3HDAC6
SCHEMBL27798490 0.84 FADS1 (0.54) FADS1DDB1CRBNEGFRPDPK1
SCHEMBL3407222 0.82 LMNA (0.41) FADS1DDB1CRBNEGFRPDPK1
SCHEMBL3401134 0.82 FADS1 (0.41) FADS1DDB1CRBNEGFRPDPK1

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 15 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
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
CN-101959876-A 2-aminoquinolines HOFFMANN LA ROCHE 2011-01-26 CN disclosed
CN-101939055-A 2-aminoquinolines HOFFMANN LA ROCHE 2011-01-05 CN disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP 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
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
WO-2009109477-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
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 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 (2 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 FADS1 2801/4885DDB1 2424/4885CRBN 3271/4885
US-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A FADS1 2068/4885DDB1 4738/4885CRBN 2795/4885

“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.