SCHEMBL2248077

SCHEMBL2248077

CC1Cc2cccc(Nc3ccc4c(NS(=O)(=O)N(C)C)cccc4n3)c2O1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.35
BRD4 O60885 6/20 0.33
CYP2D6 P10635 2/20 0.33
OPRK1 P41145 2/20 0.33
SLC2A1 P11166 1/20 0.33
POLB P06746 1/20 0.32
ACP1 P24666 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PARP14 Q460N5 1/20 0.31
EPHB4 P54760 1/20 0.31

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
SCHEMBL4110377 0.83 MAPT (0.39) BRD4SLC2A1MAPT
SCHEMBL13685235 0.83 PARP1 (0.33) PARP1CYP2D6OPRK1
SCHEMBL13685233 0.83 PARP1 (0.34) PARP1CYP2D6OPRK1EPHB4
SCHEMBL2905425 0.82 RECQL (0.34) PARP1SLC2A1ALDH1A1LMNAGAA
SCHEMBL12356714 0.72 NCF1 (0.42) BRD4POLBPARP14
SCHEMBL2901477 0.71 BRD4 (0.32) PARP1BRD4EPHB4
SCHEMBL2243192 0.69 ACHE (0.42) POLB
SCHEMBL4596765 0.69 ALDH1A1 (0.48) PARP1BRD4CYP2D6POLBALDH1A1
SCHEMBL2245273 0.67 BRD4 (0.41) BRD4POLBALDH1A1LMNAGAA
SCHEMBL13685486 0.67 BRD4 (0.41) BRD4POLBALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262774-B1 2-aminoquinolines as 5-HT5A receptor antagonists, their manufacture and pharmaceutical compositions thereof HOFFMANN LA ROCHE (CH) 2012-11-14 EP claimed
US-7989628-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US claimed
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US claimed
EP-2262774-B1 2-aminoquinolines as 5-HT5A receptor antagonists, their manufacture and pharmaceutical compositions thereof HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed
US-7989628-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-20090227628-A1 2-AMINOQUINOLINES 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-20090227628-A1 2-AMINOQUINOLINES HTR5A, HTR1A, HTR1E PARP1 411/4885BRD4 2290/4885CYP2D6 1167/4885

“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.