SCHEMBL1616208

SCHEMBL1616208

O/N=C(\c1cccs1)c1cccc2nc(N[C@@H]3CCc4ccccc43)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.37
RPS6KB1 P23443 2/20 0.37
GBA1 P04062 1/20 0.37
HDAC6 Q9UBN7 1/20 0.35
KCNN3 Q9UGI6 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
PARP1 P09874 2/20 0.34
FADS1 O60427 1/20 0.34
NAE1 Q13564 1/20 0.33
UBA3 Q8TBC4 1/20 0.33
CD38 P28907 2/20 0.33
PFKFB3 Q16875 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33

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
SCHEMBL1616209 1.00 AURKA (0.37) AURKARPS6KB1GBA1HDAC6KCNN3
SCHEMBL1616446 0.87 AURKA (0.42) AURKARPS6KB1GBA1JAK2JAK1
SCHEMBL1616089 0.86 GBA1 (0.42) AURKARPS6KB1GBA1HDAC6KCNN3
SCHEMBL1616091 0.86 GBA1 (0.42) AURKARPS6KB1GBA1HDAC6KCNN3
SCHEMBL1615547 0.82 FADS1 (0.41) AURKARPS6KB1GBA1HDAC6KCNN3
SCHEMBL1616339 0.82 GBA1 (0.41) AURKARPS6KB1GBA1HDAC6KCNN3
SCHEMBL1616336 0.82 GBA1 (0.41) AURKARPS6KB1GBA1HDAC6KCNN3
SCHEMBL1615549 0.82 FADS1 (0.41) AURKARPS6KB1GBA1HDAC6KCNN3
SCHEMBL1616303 0.81 PFKFB3 (0.39) AURKARPS6KB1GBA1HDAC6KCNN3
SCHEMBL1615584 0.81 TAS1R3 (0.42) AURKARPS6KB1GBA1HDAC6KCNN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 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-20080146567-A1 QUINOLINES HTR5A, HTR2B, HTR2C AURKA 4689/4885RPS6KB1 1225/4885GBA1 662/4885

“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.