SCHEMBL2910487

SCHEMBL2910487

Cc1ccc(CNc2nc3cccc(N)c3cc2C)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.44
HRH4 Q9H3N8 1/20 0.42
TSHR P16473 1/20 0.41
CLK1 P49759 4/20 0.40
CLK2 P49760 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
DYRK1B Q9Y463 3/20 0.40
DYRK1A Q13627 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
APP P05067 1/20 0.39
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 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
SCHEMBL2253141 0.82 MAPK1 (0.43) NPY5RNPC1RAB9ALMNAHTT
SCHEMBL2245748 0.82 NPY5R (0.42) NPY5RNPC1RAB9ALMNAHTT
SCHEMBL2242940 0.81 MAPK1 (0.39) NPY5RNPC1RAB9ALMNAHTT
SCHEMBL2247997 0.81 MAPK1 (0.41) NPY5RNPC1RAB9ALMNAHTT
SCHEMBL2902474 0.80 NPC1 (0.47) NPY5RNPC1RAB9ALMNAHTT
SCHEMBL2245888 0.73 TLR8 (0.41) NPC1RAB9ALMNAHTTTDP1
SCHEMBL7693471 0.73 NPC1 (0.53) NPY5RNPC1RAB9ALMNAHTT
SCHEMBL28784483 0.72 NPY5R (0.50) NPY5RNPC1RAB9ALMNAHTT
SCHEMBL28782185 0.71 NPY5R (0.47) NPY5RNPC1RAB9AHTTTSHR
SCHEMBL3641746 0.71 APP (0.62) NPY5RNPC1RAB9ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516852-B Quinoline derivatives with 5-ht-binding properties HOFFMANN LA ROCHE 2011-11-16 CN disclosed
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP disclosed
CN-101516852-A Quinoline derivatives with 5-HT-binding properties HOFFMANN LA ROCHE (CH) 2009-08-26 CN disclosed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP disclosed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 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-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 NPY5R 337/4885NPC1 1573/4885RAB9A 1336/4885

“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.