SCHEMBL3267063

SCHEMBL3267063

Cc1ccc(CNc2ccc3cc(Br)ccc3n2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.42
CLK1 P49759 4/20 0.41
CLK2 P49760 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
DYRK1B Q9Y463 3/20 0.41
HRH4 Q9H3N8 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BACE1 P56817 1/20 0.40
DYRK1A Q13627 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39
NPY5R Q15761 1/20 0.39
SCN9A Q15858 1/20 0.39
IGF1R P08069 1/20 0.39
TRPC5 Q9UL62 1/20 0.37
CHRM2 P08172 1/20 0.37

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
SCHEMBL3267196 0.79 TRPC5 (0.46) NPC1RAB9AHTTSMN1; SMN2TSHR
SCHEMBL3266446 0.79 TRPC5 (0.44) NPC1RAB9AMAPK1CLK1CLK2
SCHEMBL3267054 0.79 MAPK14 (0.42) NPC1RAB9AMAPK1CLK1CLK2
SCHEMBL3267224 0.78 MAPT (0.40) NPC1RAB9AMAPK1LMNAHTT
SCHEMBL28784482 0.78 NPC1 (0.41) NPC1RAB9AMAPK1CLK1CLK2
SCHEMBL27823249 0.77 MAPT (0.38) NPC1RAB9AMAPK1CLK1CLK2
SCHEMBL4110021 0.77 BRD4 (0.44) NPC1RAB9ASCN9A
SCHEMBL2248304 0.76 NPC1 (0.47) NPC1RAB9AMAPK1CLK1CLK2
SCHEMBL9881005 0.76 BACE1 (0.49) LMNAHTTBACE1
SCHEMBL3266934 0.76 RAB9A (0.38) NPC1RAB9ALMNAHTTSMN1; SMN2

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-8399674-B2 Quinolines HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
CN-101808999-B Quinoline derivatives as 5HT5A receptor antagonists HOFFMANN LA ROCHE 2013-02-13 CN disclosed
US-20120136018-A1 QUINOLINES KOLCZEWSKI SABINE (DE) 2012-05-31 US disclosed
EP-2195296-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-16 EP disclosed
US-20090088451-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040290-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 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 (2 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-20090088451-A1 QUINOLINES HTR5A, HTR1A, HTR1E NPC1 2108/4885RAB9A 873/4885MAPK1 2462/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E NPC1 2108/4885RAB9A 873/4885MAPK1 2462/4885

“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.