SCHEMBL3407110

SCHEMBL3407110

ON=C(c1ccc(F)cc1)c1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 4/20 0.43
MAPK14 Q16539 2/20 0.40
GBA1 P04062 1/20 0.39
HPGDS O60760 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EGFR P00533 1/20 0.36
FADS1 O60427 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
TAOK3 Q9H2K8 1/20 0.35
CHEK2 O96017 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KCNN3 Q9UGI6 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL3407108 1.00 PFKFB3 (0.43) PFKFB3MAPK14GBA1HPGDSMEN1
SCHEMBL3404613 0.86 HRH3 (0.45) PFKFB3MAPK14GBA1HPGDSMEN1
SCHEMBL1616336 0.85 GBA1 (0.41) PFKFB3MAPK14GBA1MEN1KMT2A
SCHEMBL1616339 0.85 GBA1 (0.41) PFKFB3MAPK14GBA1MEN1KMT2A
SCHEMBL3405690 0.84 HPGDS (0.41) PFKFB3GBA1HPGDSFADS1DDB1
SCHEMBL4106104 0.81 HTR2C (0.46) PFKFB3MAPK14HPGDSMEN1KMT2A
SCHEMBL3406044 0.81 TAOK1 (0.45) HPGDSTAOK1TAOK3HDAC6DHODH
SCHEMBL3401352 0.80 HPGDS (0.49) GBA1HPGDSMEN1KMT2AFADS1
SCHEMBL4111719 0.79 DHODH (0.46) PFKFB3HPGDSMEN1KMT2ATAOK1
SCHEMBL4106144 0.79 HPGDS (0.41) PFKFB3GBA1HPGDSEGFRFADS1

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 claimed
EP-2252372-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-11-24 EP claimed
WO-2009109502-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO claimed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 US claimed
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 PFKFB3 3870/4885MAPK14 4542/4885GBA1 1562/4885

“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.