SCHEMBL2248187

SCHEMBL2248187

Nc1cccc2nc(N[C@@H]3CCc4ccccc43)c(CC3CC3)cc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.48
EGFR P00533 1/20 0.42
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
FADS1 O60427 1/20 0.40
CDK1 P06493 2/20 0.40
GLP1R P43220 1/20 0.38
PRKCQ Q04759 2/20 0.38
PARP1 P09874 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KCNN3 Q9UGI6 1/20 0.37
P2RX7 Q99572 2/20 0.37
PDPK1 O15530 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
SCHEMBL2245636 0.85 GBA1 (0.44) GBA1EGFRAURKARPS6KB1FADS1
SCHEMBL27780844 0.84 GBA1 (0.50) GBA1EGFRAURKARPS6KB1FADS1
SCHEMBL1615945 0.76 GBA1 (0.48) GBA1EGFRAURKARPS6KB1FADS1
SCHEMBL1615946 0.76 GBA1 (0.48) GBA1EGFRAURKARPS6KB1FADS1
SCHEMBL2904940 0.76 GBA1 (0.47) GBA1EGFRAURKARPS6KB1FADS1
SCHEMBL2906202 0.76 GBA1 (0.47) GBA1EGFRAURKARPS6KB1FADS1
SCHEMBL2906027 0.75 GBA1 (0.45) GBA1EGFRAURKARPS6KB1FADS1
SCHEMBL2905249 0.74 HTR6 (0.47)
SCHEMBL2925982 0.73 GBA1 (0.41) GBA1EGFRAURKARPS6KB1FADS1
SCHEMBL2241839 0.73 KDM1A (0.40) EGFR

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 4 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
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
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 GBA1 1247/4885EGFR 4445/4885AURKA 4638/4885

“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.