SCHEMBL2247997

SCHEMBL2247997

COCCCc1cc2c(N)cccc2nc1NCc1ccc(C)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
NPY5R Q15761 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CLK1 P49759 5/20 0.36
CLK2 P49760 4/20 0.36
CLK4 Q9HAZ1 4/20 0.36
DYRK1B Q9Y463 4/20 0.36
HRH4 Q9H3N8 1/20 0.36
DYRK1A Q13627 2/20 0.36
TRPC5 Q9UL62 1/20 0.36
APP P05067 2/20 0.35
TSHR P16473 1/20 0.35
NCF1 P14598 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
ELANE P08246 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
SCHEMBL2253141 0.94 MAPK1 (0.43) MAPK1NPY5RNPC1RAB9ALMNA
SCHEMBL2242940 0.84 MAPK1 (0.39) MAPK1NPY5RNPC1RAB9ALMNA
SCHEMBL2245748 0.83 NPY5R (0.42) MAPK1NPY5RNPC1RAB9ALMNA
SCHEMBL4115645 0.83 MAPK1 (0.41) MAPK1NPY5RNPC1RAB9ALMNA
SCHEMBL2910487 0.81 NPY5R (0.46) MAPK1NPY5RNPC1RAB9ALMNA
SCHEMBL4110036 0.76 MAPK1 (0.43) MAPK1NPY5RNPC1RAB9ALMNA
SCHEMBL2902474 0.72 NPC1 (0.47) MAPK1NPY5RNPC1RAB9ALMNA
SCHEMBL2245888 0.70 TLR8 (0.41) NPC1RAB9ALMNAHTTNCF1
SCHEMBL2904771 0.67 NPC1 (0.38) MAPK1NPY5RNPC1RAB9ALMNA
SCHEMBL13685704 0.66 NCF1 (0.48) MAPK1NPY5RNPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989628-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US claimed
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US claimed
EP-2262774-B1 2-aminoquinolines as 5-HT5A receptor antagonists, their manufacture and pharmaceutical compositions thereof HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed
US-7989628-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 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-20090227628-A1 2-AMINOQUINOLINES HTR5A, HTR1A, HTR1E MAPK1 1900/4885NPY5R 15/4885NPC1 1213/4885

“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.