SCHEMBL2243192

SCHEMBL2243192

COc1cccc2c1C(Nc1ccc3c(NS(=O)(=O)N(C)C)cccc3n1)CC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ADORA2A P29274 1/20 0.36
PFKFB3 Q16875 1/20 0.36
EGFR P00533 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MCHR1 Q99705 1/20 0.35
HTR1A P08908 5/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL1616695 0.85 ALDH1A1 (0.42) KDM4EMEN1KMT2A
SCHEMBL1616597 0.84 MAP2K4 (0.38) PFKFB3KDM4EMEN1KMT2APDE4A
SCHEMBL3431956 0.83 ACHE (0.41) ACHECA1CA2PFKFB3HTR1A
SCHEMBL1615349 0.83 MAP2K4 (0.38) PFKFB3EGFRKDM4EMEN1KMT2A
SCHEMBL1615961 0.80 KDM4E (0.34) KDM4EMCHR1MEN1POLBKMT2A
SCHEMBL2898301 0.80 KDM4E (0.31) PFKFB3KDM4EMCHR1HTR1A
SCHEMBL2905912 0.80 MCHR1 (0.39) ACHEADORA2APFKFB3EGFRMCHR1
SCHEMBL1615734 0.79 PFKFB3 (0.39) PFKFB3KDM4EMEN1KMT2A
SCHEMBL3431960 0.78 CA1 (0.38) ACHECA1CA2PFKFB3MEN1
SCHEMBL1616319 0.76 MCHR1 (0.37) PFKFB3EGFRMCHR1HTR1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994324-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-09 US claimed
EP-2262773-A1 2-AMINOQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP claimed
WO-2009109491-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO claimed
US-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US claimed
US-7994324-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-09 US disclosed
EP-2262773-A1 2-AMINOQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009109491-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 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-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES HTR5A, HTR2C, HTR2B ACHE 436/4885CA1 4161/4885CA2 4646/4885

“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.