SCHEMBL2904980

SCHEMBL2904980

CC(C)(C)c1cccc(Nc2ccc3c(NS(=O)(=O)c4cc(F)cc(F)c4)cccc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
TNNI3K Q59H18 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
CLK1 P49759 1/20 0.41
MAPT P10636 5/20 0.39
BRAF P15056 2/20 0.39
RAF1 P04049 1/20 0.39
IDH1 O75874 1/20 0.39
TP53 P04637 2/20 0.38
GLO1 Q04760 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TYK2 P29597 1/20 0.36
PDE4D Q08499 1/20 0.36
GAA P10253 1/20 0.36
FFAR1 O14842 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35

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
SCHEMBL2910554 0.91 CLK1 (0.52) ABCG2CLK1MAPTBRAFRAF1
SCHEMBL2906872 0.87 SLC10A2 (0.45) EGFRTNNI3KABCG2MAPTTP53
SCHEMBL2904870 0.84 MEN1 (0.49) TNNI3KABCG2MAPTBRAFRAF1
SCHEMBL2901922 0.82 MAPT (0.40) ABCG2CLK1MAPTBRAFRAF1
SCHEMBL2907742 0.79 RECQL (0.53) CLK1MAPTKDM4EMEN1KMT2A
SCHEMBL2904767 0.79 MAPT (0.38) CLK1MAPTGLO1MEN1KMT2A
SCHEMBL2905387 0.76 RECQL (0.39) CLK1MAPTGLO1KDM4EMEN1
SCHEMBL2906708 0.74 IDO1 (0.42) CLK1MAPTKDM4EKMT2ATYK2
SCHEMBL2905319 0.74 LMNA (0.44) EGFRCLK1MAPTKDM4EMEN1
SCHEMBL2907020 0.74 SLC40A1 (0.49) CLK1MAPTGLO1KDM4EMEN1

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 EGFR 3211/4885TNNI3K 4213/4885ABCG2 380/4885

“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.