SCHEMBL3404457

SCHEMBL3404457

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.46
HPGDS O60760 1/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
IMPDH2 P12268 3/20 0.37
PFKFB3 Q16875 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL3409104 0.87 HPGDS (0.39) RAB9ANPC1SMN1; SMN2KDM4EHPGDS
SCHEMBL4109902 0.86 MAPT (0.44) RAB9ANPC1KDM4EHPGDSMAPT
SCHEMBL3403165 0.85 KMT2A (0.48) RAB9ANPC1HPGDSMAPTLMNA
SCHEMBL3398520 0.84 RAB9A (0.38) RAB9ANPC1SMN1; SMN2KDM4EHPGDS
SCHEMBL3411790 0.84 NPC1 (0.42) NPC1HPGDSMAPTLMNAJAK2
SCHEMBL3415257 0.84 HPGDS (0.46) RAB9ANPC1HPGDSMAPTPOLB
SCHEMBL3414984 0.84 AURKA (0.41) NPC1HPGDSMAPTJAK2JAK1
SCHEMBL3413176 0.84 NPC1 (0.38) RAB9ANPC1SMN1; SMN2KDM4EHPGDS
SCHEMBL4106006 0.83 HPGDS (0.41) RAB9ANPC1SMN1; SMN2HPGDSMAPT
SCHEMBL3411464 0.83 HPGDS (0.41) RAB9ANPC1SMN1; SMN2KDM4EHPGDS

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 6 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
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 RAB9A 177/4885NPC1 2445/4885SMN1; SMN2 1591/4885

“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.