SCHEMBL3405744

SCHEMBL3405744

COc1ccccc1CNc1ccc2cc(NC(=O)CN3CCN(C)CC3)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 10/20 0.48
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 1/20 0.47
ESR1 P03372 2/20 0.47
PDGFRB P09619 2/20 0.47
KDR P35968 2/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL3406201 0.83 CHEK1 (0.49) KDM4EMAPTSMN1; SMN2POLBHTT
SCHEMBL4104923 0.79 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL4102664 0.79 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3267206 0.79 HIF1A (0.57) MEN1KMT2AMAPTKDRLMNA
SCHEMBL3267065 0.79 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3408996 0.78 DRD4 (0.44) MEN1KMT2AALDH1A1MAPTESR1
SCHEMBL3402970 0.78 HIF1A (0.51) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL3408293 0.78 SMN1; SMN2 (0.50) ALDH1A1MAPTSMN1; SMN2
SCHEMBL3407582 0.78 SMN1; SMN2 (0.50) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL3268659 0.77 NPC1 (0.57) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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
EP-2254666-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-12-01 EP claimed
WO-2009112395-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 WO claimed
US-8350028-B2 2-aminoquinolines HOFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
EP-2254666-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-12-01 EP disclosed
WO-2009112395-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 WO disclosed
US-20090233927-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 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-20090233927-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B MEN1 3729/4885KMT2A 1049/4885ALDH1A1 1897/4885

“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.