SCHEMBL3404267

SCHEMBL3404267

COc1ccccc1NC(=O)Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 2/20 0.45
ATM Q13315 1/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
GLA P06280 1/20 0.44
PFKFB3 Q16875 1/20 0.44
HPGDS O60760 1/20 0.43
EGFR P00533 1/20 0.42

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
SCHEMBL3404447 0.89 MAPT (0.58) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3401633 0.88 HPGDS (0.51) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3400249 0.86 NPSR1 (0.50) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3403165 0.86 KMT2A (0.48) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL3398554 0.85 NPC1 (0.52) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL3411790 0.85 NPC1 (0.42) KMT2ANPC1MAPTMEN1ALDH1A1
SCHEMBL3415257 0.85 HPGDS (0.46) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL4109902 0.83 MAPT (0.44) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL3412973 0.83 BRS3 (0.47) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3410563 0.83 NPY1R (0.48) KMT2ANPC1ALDH1A1

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 KMT2A 1042/4885NPC1 2445/4885RAB9A 177/4885

“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.