SCHEMBL3401633

SCHEMBL3401633

COc1ccc(NC(=O)Nc2ccc3nc(N[C@@H]4CCc5ccccc54)ccc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.51
MAPT P10636 6/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KCNJ6 P48051 1/20 0.42
KCNJ3 P48549 1/20 0.42
PTPN7 P35236 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 0.93 MAPT (0.58) HPGDSMAPTKMT2AMEN1ALDH1A1
SCHEMBL3402876 0.92 HPGDS (0.50) HPGDSMAPTKMT2AMEN1ALDH1A1
SCHEMBL3405721 0.91 NPC1 (0.47) HPGDSMAPTKMT2AMEN1ALDH1A1
SCHEMBL3403165 0.90 KMT2A (0.48) HPGDSMAPTKMT2AMEN1ALDH1A1
SCHEMBL3404267 0.88 KMT2A (0.52) HPGDSMAPTKMT2AMEN1ALDH1A1
SCHEMBL3398554 0.88 NPC1 (0.52) HPGDSMAPTKMT2AMEN1ALDH1A1
SCHEMBL3415257 0.88 HPGDS (0.46) HPGDSMAPTKMT2AMEN1ALDH1A1
SCHEMBL3411790 0.88 NPC1 (0.42) HPGDSMAPTKMT2AMEN1ALDH1A1
SCHEMBL4109902 0.85 MAPT (0.44) HPGDSMAPTKMT2AMEN1ALDH1A1
SCHEMBL4119600 0.85 NPC1 (0.40) HPGDSMAPTKMT2AMEN1ALDH1A1

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 HPGDS 2010/4885MAPT 905/4885KMT2A 1042/4885

“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.