SCHEMBL2248366

SCHEMBL2248366

C[S+]([O-])CCNc1cccc2nc(N[C@@H]3CCc4ccccc43)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
P2RX7 Q99572 2/20 0.36
PDPK1 O15530 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
PFKFB3 Q16875 2/20 0.36
EGFR P00533 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FADS1 O60427 1/20 0.35
PARP1 P09874 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35

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
SCHEMBL4109930 0.86 KDM1A (0.39) MAOAMAOBADRA1A
SCHEMBL3844986 0.82 PDPK1 (0.47) GBA1PDPK1JAK2JAK1TYK2
SCHEMBL4110521 0.82 KDM1A (0.39) MAOAMAOBADRA1A
SCHEMBL1616340 0.79 PDE10A (0.41) GBA1P2RX7JAK2JAK1TYK2
SCHEMBL1616433 0.78 GBA1 (0.39) GBA1P2RX7PDPK1JAK2JAK1
SCHEMBL1616286 0.78 PFKFB3 (0.37) GBA1JAK2JAK1TYK2JAK3
SCHEMBL1615636 0.78 NTRK1 (0.39) GBA1PFKFB3EGFRFADS1PARP1
SCHEMBL2245619 0.77 GBA1 (0.47) GBA1PDPK1PFKFB3EGFRFADS1
SCHEMBL1615739 0.77 ADRA1A (0.44) GBA1JAK2JAK1TYK2JAK3
SCHEMBL1616589 0.77 GBA1 (0.50) GBA1JAK2JAK3EGFRKDM4E

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 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 GBA1 1247/4885P2RX7 466/4885PDPK1 1149/4885

“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.