SCHEMBL2909137

SCHEMBL2909137

CC(Nc1cccc2nc(Nc3cccc4c3OC(C)(C)C4)ccc12)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.34
NAMPT P43490 1/20 0.34
ADORA2A P29274 6/20 0.33
ADORA2B P29275 5/20 0.33
MEN1 O00255 1/20 0.32
CLK1 P49759 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR55 Q9Y2T6 3/20 0.31
KDM4C Q9H3R0 1/20 0.31
LRRK2 Q5S007 1/20 0.31
IDH1 O75874 1/20 0.31
PFKFB3 Q16875 1/20 0.31

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
SCHEMBL2905055 0.84 ALDH1A1 (0.36) KDM4ELMNAPKMKMT2A
SCHEMBL2904359 0.81 MAPKAPK2 (0.34) LMNAPKMMEN1KMT2A
SCHEMBL2908896 0.81 LMNA (0.41) KDM4ELMNANAMPTMEN1KMT2A
SCHEMBL3951727 0.70 COPS5 (0.38) LMNAPKMMEN1KMT2AKDM4C
SCHEMBL2906857 0.69 ALDH1A1 (0.38) LMNAPKMMEN1CLK1KMT2A
SCHEMBL2908657 0.69 MAPK10 (0.39) KDM4ELMNAPKMKMT2A
SCHEMBL2904967 0.69 NPC1 (0.32) KDM4ELMNAPKMKMT2A
SCHEMBL2904724 0.68 HCRTR1 (0.33) PKMKMT2A
SCHEMBL3266936 0.67 MAPT (0.37) KDM4ELMNAPKMKMT2A
SCHEMBL2907255 0.67 KMT2A (0.31) LMNAPKMKMT2A

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-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US claimed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP claimed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP claimed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO claimed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 US claimed
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP disclosed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP disclosed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 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-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 KDM4E 1488/4885LMNA 2311/4885PKM 2851/4885

“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.