SCHEMBL3267291

SCHEMBL3267291

COc1ccccc1CNc1ccc2nc(NCc3ccc(C)o3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
MAPK1 P28482 5/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL3273187 1.00 MEN1 (0.43) MEN1KMT2AADORA3ADORA2AADORA2B
SCHEMBL3271133 0.89 KCNN3 (0.39) MEN1KMT2AADORA2AMAPK1LMNA
SCHEMBL3267065 0.88 MEN1 (0.53) MEN1KMT2AMAPK1LMNAMAPT
SCHEMBL3267196 0.83 TRPC5 (0.46) MAPTNPC1ALDH1A1RAB9AKDM4E
SCHEMBL3268616 0.83 PDGFRB (0.53) MEN1KMT2AMAPK1LMNAMAPT
SCHEMBL3267015 0.82 MEN1 (0.47) MEN1KMT2AMAPK1LMNAMAPT
SCHEMBL3267003 0.81 MAPT (0.47) MEN1KMT2AADORA3ADORA2AADORA2B
SCHEMBL3268605 0.81 CYP1A2 (0.46) MEN1KMT2AMAPK1LMNAMAPT
SCHEMBL3266795 0.81 CYP2D6 (0.47) MEN1KMT2AMAPK1LMNAMAPT
SCHEMBL2902657 0.80 ACP1 (0.47) MEN1KMT2AADORA3ADORA2AADORA2B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399674-B2 Quinolines HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US claimed
US-20120136018-A1 QUINOLINES KOLCZEWSKI SABINE (DE) 2012-05-31 US claimed
EP-2195296-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-16 EP claimed
US-20090088451-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US claimed
WO-2009040290-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO claimed
US-8399674-B2 Quinolines HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20120136018-A1 QUINOLINES KOLCZEWSKI SABINE (DE) 2012-05-31 US disclosed
EP-2195296-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-16 EP disclosed
US-20090088451-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040290-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO 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 (2 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-20090088451-A1 QUINOLINES HTR5A, HTR1A, HTR1E MEN1 933/4885KMT2A 817/4885ADORA3 57/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E MEN1 933/4885KMT2A 817/4885ADORA3 57/4885

“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.