SCHEMBL2905055

SCHEMBL2905055

CC(Nc1cccc2nc(Nc3cccc4c3OC(C)(C)C4)ccc12)c1cc(F)cc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
GRK6 P43250 1/20 0.32
SLC2A1 P11166 1/20 0.31
LMNA P02545 2/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDPK1 O15530 1/20 0.30
RPS6KB1 P23443 1/20 0.30
NTRK1 P04629 2/20 0.30
NTRK3 Q16288 2/20 0.30
NTRK2 Q16620 2/20 0.30
MUSK O15146 1/20 0.30

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
SCHEMBL2909137 0.84 KDM4E (0.38) LMNAPKMKDM4EKMT2A
SCHEMBL2906857 0.81 ALDH1A1 (0.38) ALDH1A1MAPTLMNAPKMGAA
SCHEMBL3957768 0.81 RAB9A (0.36) ALDH1A1MAPTGRK6SLC2A1LMNA
SCHEMBL2904359 0.80 MAPKAPK2 (0.34) MAPTLMNAPKMKMT2A
SCHEMBL2908657 0.75 MAPK10 (0.39) ALDH1A1MAPTLMNAPKMKDM4E
SCHEMBL2908896 0.70 LMNA (0.41) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL3266936 0.70 MAPT (0.37) ALDH1A1MAPTLMNAPKMKDM4E
SCHEMBL2904967 0.69 NPC1 (0.32) ALDH1A1LMNAPKMKDM4ENPC1
SCHEMBL2908139 0.69 KDR (0.34) ALDH1A1PKMKDM4ENPC1RAB9A
SCHEMBL3951727 0.69 COPS5 (0.38) MAPTLMNAPKMNPC1RAB9A

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 ALDH1A1 872/4885MAPT 1716/4885GRK6 1014/4885

“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.