SCHEMBL3404447

SCHEMBL3404447

COc1cccc(NC(=O)Nc2ccc3nc(N[C@@H]4CCc5ccccc54)ccc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGDS O60760 1/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
CCKBR P32239 3/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.44
PTPN7 P35236 1/20 0.44
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL3401633 0.93 HPGDS (0.51) MAPTKMT2AMEN1ALDH1A1HPGDS
SCHEMBL3403165 0.89 KMT2A (0.48) MAPTKMT2AMEN1ALDH1A1HPGDS
SCHEMBL3404267 0.89 KMT2A (0.52) MAPTKMT2AMEN1ALDH1A1HPGDS
SCHEMBL3402876 0.86 HPGDS (0.50) MAPTKMT2AMEN1ALDH1A1HPGDS
SCHEMBL3401343 0.86 KMT2A (0.56) MAPTKMT2AMEN1ALDH1A1NPC1
SCHEMBL3398554 0.86 NPC1 (0.52) MAPTKMT2AMEN1ALDH1A1HPGDS
SCHEMBL3411790 0.86 NPC1 (0.42) MAPTKMT2AMEN1ALDH1A1HPGDS
SCHEMBL3415257 0.86 HPGDS (0.46) MAPTKMT2AMEN1ALDH1A1HPGDS
SCHEMBL3405721 0.85 NPC1 (0.47) MAPTKMT2AMEN1ALDH1A1HPGDS
SCHEMBL4109902 0.84 MAPT (0.44) MAPTKMT2AMEN1ALDH1A1HPGDS

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 MAPT 905/4885KMT2A 1042/4885MEN1 3687/4885

“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.