SCHEMBL2904790

SCHEMBL2904790

O=S(=O)(Nc1cccc2nc(NCCOc3ccccc3)ccc12)c1cc(F)cc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.45
PKM P14618 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC40A1 Q9NP59 1/20 0.38
POLB P06746 1/20 0.38
PIK3CA P42336 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CLK1 P49759 1/20 0.37
RECQL P46063 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL2907742 0.77 RECQL (0.53) MAPTKDM4ESLC40A1MEN1LMNA
SCHEMBL2904870 0.77 MEN1 (0.49) MAPTKDM4ESLC40A1POLBPIK3CA
SCHEMBL2901907 0.76 SMN1; SMN2 (0.42) PKMMAPTMEN1LMNAKMT2A
SCHEMBL2901736 0.75 L3MBTL1 (0.40) MAPTKDM4EPOLBMEN1LMNA
SCHEMBL2907020 0.74 SLC40A1 (0.49) MAPTKDM4ESLC40A1MEN1KMT2A
SCHEMBL2906872 0.73 SLC10A2 (0.45) MAPTKDM4ESLC40A1MEN1KMT2A
SCHEMBL2907959 0.72 ALOX12 (0.41) MAPTSLC40A1MEN1LMNAKMT2A
SCHEMBL2906908 0.72 NPC1 (0.48) MAPTKDM4EMEN1KMT2ARECQL
SCHEMBL2910554 0.71 CLK1 (0.52) MAPTKDM4ESLC40A1POLBMEN1
SCHEMBL2906708 0.71 IDO1 (0.42) PKMMAPTKDM4ELMNAKMT2A

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 F2 2641/4885PKM 2851/4885MAPT 1716/4885

“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.