SCHEMBL3401133

SCHEMBL3401133

Nc1ccc2nc(NC3CCc4ccccc43)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
PDPK1 O15530 1/20 0.42
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
PFKFB3 Q16875 5/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.40
EGFR P00533 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
KCNN3 Q9UGI6 1/20 0.39
GBA1 P04062 1/20 0.39
PLAU P00749 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
SCHEMBL3404143 1.00 FADS1 (0.43) FADS1DDB1CRBNPDPK1JAK2
SCHEMBL3403995 0.85 FADS1 (0.55) FADS1DDB1CRBNPDPK1PFKFB3
SCHEMBL3407115 0.85 FADS1 (0.43) FADS1DDB1CRBNPDPK1JAK2
SCHEMBL3404459 0.85 FADS1 (0.43) FADS1DDB1CRBNPDPK1PFKFB3
SCHEMBL4106465 0.85 FADS1 (0.43) FADS1DDB1CRBNPDPK1PFKFB3
SCHEMBL4098481 0.85 FADS1 (0.43) FADS1DDB1CRBNPDPK1JAK2
SCHEMBL3428702 0.84 HDAC6 (0.40) DDB1CRBNPFKFB3CA1CA2
SCHEMBL3431332 0.84 BACE1 (0.38) DDB1CRBNJAK2JAK3PFKFB3
SCHEMBL3401134 0.84 FADS1 (0.41) FADS1DDB1CRBNPDPK1JAK2
SCHEMBL27798490 0.84 FADS1 (0.54) FADS1DDB1CRBNPDPK1PFKFB3

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-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
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
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

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.