SCHEMBL3398520

SCHEMBL3398520

O=C(Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1)N(S)C(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
PLAU P00749 1/20 0.38
NPC1 O15118 1/20 0.38
HPGDS O60760 1/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
FADS1 O60427 1/20 0.35
HTT P42858 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
PABPC1 P11940 1/20 0.34
GBA1 P04062 1/20 0.34
CDK1 P06493 1/20 0.34
PFKFB3 Q16875 1/20 0.34

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
SCHEMBL3404457 0.84 RAB9A (0.47) RAB9ANPC1HPGDSJAK2JAK1
SCHEMBL3403165 0.83 KMT2A (0.48) RAB9ANPC1HPGDSMEN1KMT2A
SCHEMBL3409104 0.83 HPGDS (0.39) RAB9ANPC1HPGDSJAK2JAK1
SCHEMBL4109902 0.82 MAPT (0.44) RAB9ANPC1HPGDSJAK2JAK1
SCHEMBL3414984 0.82 AURKA (0.41) PLAUNPC1HPGDSJAK2JAK1
SCHEMBL3413176 0.82 NPC1 (0.38) RAB9ANPC1HPGDSJAK2JAK1
SCHEMBL3405794 0.81 NPC1 (0.53) RAB9APLAUNPC1MEN1KMT2A
SCHEMBL3415257 0.80 HPGDS (0.46) RAB9ANPC1HPGDSJAK2JAK1
SCHEMBL3411790 0.80 NPC1 (0.42) NPC1HPGDSJAK2JAK1TYK2
SCHEMBL4106006 0.79 HPGDS (0.41) RAB9ANPC1HPGDSJAK2JAK1

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 10 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
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
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 RAB9A 177/4885PLAU 3731/4885NPC1 2445/4885
US-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A RAB9A 1281/4885PLAU 4353/4885NPC1 2931/4885

“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.