SCHEMBL2905910

SCHEMBL2905910

NC(=O)c1cc2[c]cccc2nc1N[C@@H]1CCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.53
RPS6KB1 P23443 3/20 0.53
AURKB Q96GD4 1/20 0.47
CD38 P28907 2/20 0.45
GBA1 P04062 2/20 0.42
EGFR P00533 1/20 0.41
GLP1R P43220 1/20 0.39
PARP1 P09874 2/20 0.38
CHEK2 O96017 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
FADS1 O60427 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KCNN3 Q9UGI6 1/20 0.36
NAE1 Q13564 1/20 0.36
UBA3 Q8TBC4 1/20 0.36

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
SCHEMBL2904936 0.85 AURKA (0.56) AURKARPS6KB1AURKBCD38GBA1
SCHEMBL2905911 0.82 EGFR (0.39) AURKARPS6KB1AURKBCD38EGFR
SCHEMBL3429529 0.82 AURKA (0.51) AURKARPS6KB1AURKBCD38GBA1
SCHEMBL4098815 0.73 AURKA (0.46) AURKARPS6KB1AURKBCD38GBA1
SCHEMBL2904940 0.69 GBA1 (0.47) AURKARPS6KB1GBA1EGFRGLP1R
SCHEMBL2906202 0.69 GBA1 (0.47) AURKARPS6KB1GBA1EGFRGLP1R
SCHEMBL666553 0.69 RPS6KB1 (1.00) AURKARPS6KB1AURKBCD38EGFR
SCHEMBL3428700 0.69 AURKA (0.40) AURKARPS6KB1AURKBCD38CA1
SCHEMBL3431331 0.69 AURKA (0.38) AURKARPS6KB1AURKBCD38
SCHEMBL2906297 0.69 AURKA (0.41) AURKARPS6KB1AURKBGBA1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262773-A1 2-AMINOQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP claimed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP claimed
WO-2009109491-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO claimed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US claimed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO claimed
EP-2262773-A1 2-AMINOQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP disclosed
WO-2009109491-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US disclosed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO 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-20080146567-A1 QUINOLINES HTR5A, HTR2B, HTR2C AURKA 4689/4885RPS6KB1 1225/4885AURKB 4093/4885

“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.