SCHEMBL2904940

SCHEMBL2904940

Nc1cc2ccccc2nc1N[C@@H]1CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.47
EGFR P00533 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KCNN3 Q9UGI6 1/20 0.46
FADS1 O60427 1/20 0.45
PDPK1 O15530 1/20 0.44
GLP1R P43220 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
LMNA P02545 1/20 0.42
PFKFB3 Q16875 1/20 0.42
CDK1 P06493 1/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
BCHE P06276 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL2906202 1.00 GBA1 (0.47) GBA1EGFRHDAC6KCNN3FADS1
SCHEMBL2906027 0.84 GBA1 (0.45) GBA1EGFRHDAC6KCNN3FADS1
SCHEMBL2904936 0.82 AURKA (0.56) GBA1EGFRHDAC6KCNN3FADS1
SCHEMBL2905955 0.81 GBA1 (0.45) GBA1EGFRHDAC6KCNN3FADS1
SCHEMBL2905882 0.79 PRKCQ (0.48) GBA1EGFRHDAC6KCNN3FADS1
SCHEMBL2905886 0.79 PRKCQ (0.48) GBA1EGFRHDAC6KCNN3FADS1
SCHEMBL27780844 0.78 GBA1 (0.50) GBA1EGFRHDAC6KCNN3FADS1
SCHEMBL27798458 0.77 EGFR (0.45) GBA1EGFRHDAC6KCNN3FADS1
SCHEMBL2905970 0.77 GBA1 (0.44) GBA1EGFRHDAC6KCNN3FADS1
SCHEMBL2248187 0.76 GBA1 (0.48) GBA1EGFRHDAC6KCNN3FADS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A GBA1 4562/4885EGFR 1621/4885HDAC6 2442/4885

“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.