SCHEMBL1616322

SCHEMBL1616322

N=C(c1ccc(F)cc1)c1cccc2nc(N[C@@H]3CCc4ccccc43)ccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.43
PFKFB3 Q16875 3/20 0.41
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MAPK14 Q16539 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
FADS1 O60427 1/20 0.35
PARP1 P09874 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KCNN3 Q9UGI6 1/20 0.35
DHODH Q02127 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34

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
SCHEMBL1616282 0.93 GBA1 (0.44) GBA1PFKFB3AURKARPS6KB1JAK2
SCHEMBL1616580 0.88 AURKA (0.43) GBA1PFKFB3AURKARPS6KB1MAPK14
SCHEMBL1616336 0.87 GBA1 (0.41) GBA1PFKFB3AURKARPS6KB1MAPK14
SCHEMBL1616339 0.87 GBA1 (0.41) GBA1PFKFB3AURKARPS6KB1MAPK14
SCHEMBL1616235 0.83 GBA1 (0.44) GBA1PFKFB3AURKARPS6KB1JAK2
SCHEMBL1616270 0.82 AURKA (0.42) GBA1PFKFB3AURKARPS6KB1MAPK14
SCHEMBL1616110 0.81 MEN1 (0.44) GBA1PFKFB3MEN1KMT2AJAK2
SCHEMBL1615234 0.81 TAS1R3 (0.48) GBA1PFKFB3AURKARPS6KB1KMT2A
SCHEMBL1616499 0.81 AURKA (0.46) GBA1AURKARPS6KB1JAK2JAK1
SCHEMBL2917052 0.81 AURKA (0.46) GBA1AURKARPS6KB1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541753-B 2-aminoquinolines as 5-HT(5A) receptor antagonists HOFFMANN LA ROCHE 2012-06-13 CN claimed
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US 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
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
CN-101541753-B 2-aminoquinolines as 5-HT(5A) receptor antagonists HOFFMANN LA ROCHE 2012-06-13 CN disclosed
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
CN-101541753-A 2-Aminoquinolines as 5-HT(5A) receptor antagonists HOFFMANN LA ROCHE (CH) 2009-09-23 CN disclosed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP 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 GBA1 662/4885PFKFB3 4177/4885AURKA 4689/4885

“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.