SCHEMBL1616580

SCHEMBL1616580

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.43
RPS6KB1 P23443 3/20 0.43
GBA1 P04062 2/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PFKFB3 Q16875 1/20 0.41
PARP1 P09874 2/20 0.39
SLC18A3 Q16572 1/20 0.39
DHODH Q02127 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
MAPK14 Q16539 1/20 0.39
CXCR2 P25025 1/20 0.38
CD38 P28907 2/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL1616499 0.93 AURKA (0.46) AURKARPS6KB1GBA1JAK2JAK1
SCHEMBL2917052 0.93 AURKA (0.46) AURKARPS6KB1GBA1JAK2JAK1
SCHEMBL1616270 0.91 AURKA (0.42) AURKARPS6KB1GBA1JAK2JAK1
SCHEMBL1615234 0.90 TAS1R3 (0.48) AURKARPS6KB1GBA1JAK2JAK1
SCHEMBL1615313 0.90 TAS1R3 (0.43) AURKARPS6KB1GBA1JAK2JAK1
SCHEMBL1616322 0.88 GBA1 (0.43) AURKARPS6KB1GBA1JAK2JAK1
SCHEMBL1616336 0.87 GBA1 (0.41) AURKARPS6KB1GBA1JAK2JAK1
SCHEMBL1616339 0.87 GBA1 (0.41) AURKARPS6KB1GBA1JAK2JAK1
SCHEMBL1616110 0.85 MEN1 (0.44) GBA1JAK2JAK1TYK2JAK3
SCHEMBL1616687 0.83 DHODH (0.46) GBA1JAK2JAK1TYK2JAK3

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
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
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
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 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.