SCHEMBL1616336

SCHEMBL1616336

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.41
PFKFB3 Q16875 3/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MAPK14 Q16539 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
KCNN3 Q9UGI6 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
FADS1 O60427 1/20 0.34
PARP1 P09874 2/20 0.34
DHODH Q02127 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
SCHEMBL1616339 1.00 GBA1 (0.41) GBA1PFKFB3AURKARPS6KB1MAPK14
SCHEMBL1616089 0.93 GBA1 (0.42) GBA1PFKFB3AURKARPS6KB1HDAC6
SCHEMBL1616091 0.93 GBA1 (0.42) GBA1PFKFB3AURKARPS6KB1HDAC6
SCHEMBL1616303 0.92 PFKFB3 (0.39) GBA1PFKFB3AURKARPS6KB1MAPK14
SCHEMBL1616304 0.92 PFKFB3 (0.39) GBA1PFKFB3AURKARPS6KB1MAPK14
SCHEMBL1615582 0.92 TAS1R3 (0.42) GBA1PFKFB3AURKARPS6KB1MAPK14
SCHEMBL1615584 0.92 TAS1R3 (0.42) GBA1PFKFB3AURKARPS6KB1MAPK14
SCHEMBL2900777 0.91 GBA1 (0.38) GBA1PFKFB3AURKARPS6KB1HDAC6
SCHEMBL2900774 0.91 GBA1 (0.38) GBA1PFKFB3AURKARPS6KB1HDAC6
SCHEMBL1615549 0.91 FADS1 (0.41) GBA1PFKFB3AURKARPS6KB1HDAC6

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 6 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
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US 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 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.