SCHEMBL2902345

SCHEMBL2902345

O=S(=O)(Nc1cccc2nc(Nc3cccc4c3OCC4)ccc12)c1cc(F)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 1/20 0.47
PKM P14618 3/20 0.42
MAPT P10636 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 1/20 0.38
IDO1 P14902 1/20 0.35
GAA P10253 1/20 0.35
CLK1 P49759 1/20 0.35
RECQL P46063 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
IGF1R P08069 1/20 0.34
SLC40A1 Q9NP59 1/20 0.33
KDM4E B2RXH2 1/20 0.33
AADAT Q8N5Z0 1/20 0.32
HTT P42858 1/20 0.32
NOD2 Q9HC29 1/20 0.32
ACLY P53396 1/20 0.32

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
SCHEMBL2906708 0.87 IDO1 (0.42) EPHB4PKMMAPTKMT2AALDH1A1
SCHEMBL2905319 0.83 LMNA (0.44) PKMMAPTKMT2AMEN1ALDH1A1
SCHEMBL2905425 0.82 RECQL (0.34) EPHB4PKMMAPTKMT2AMEN1
SCHEMBL2906857 0.82 ALDH1A1 (0.38) EPHB4PKMMAPTKMT2AMEN1
SCHEMBL2907742 0.81 RECQL (0.53) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL2905387 0.77 RECQL (0.39) EPHB4MAPTKMT2AMEN1ALDH1A1
SCHEMBL2906872 0.76 SLC10A2 (0.45) MAPTKMT2AMEN1ALDH1A1RECQL
SCHEMBL2901922 0.76 MAPT (0.40) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL2926162 0.76 SCN1A (0.41) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL1615546 0.76 SCN1A (0.41) MAPTKMT2AMEN1ALDH1A1GAA

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 EPHB4 4447/4885PKM 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.