SCHEMBL5028620

SCHEMBL5028620

Cc1cc(N2CCCC2)c2ccc(NCc3ccccc3C)cc2n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.55
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPY5R Q15761 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KIT P10721 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5024407 0.91 NCF1 (0.50) NCF1ADRB2ADRB1LMNAHTT
SCHEMBL5025398 0.89 NCF1 (0.56) NCF1ADRB2ADRB1LMNAHTT
SCHEMBL5022538 0.89 NCF1 (0.53) NCF1ADRB2ADRB1HRH4HRH3
SCHEMBL5024510 0.87 KDM4E (0.56) NCF1LMNAHTTUSP2MAPK1
SCHEMBL5026888 0.86 NCF1 (0.50) NCF1ADRB2ADRB1MEN1KMT2A
SCHEMBL5486382 0.82 MEN1 (0.52) HRH4HRH3HTTMAPK1NPY5R
SCHEMBL5022553 0.82 NCF1 (0.51) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL5024554 0.82 NCF1 (0.51) NCF1HTTHSD17B10MEN1KMT2A
SCHEMBL5028650 0.82 NCF1 (0.46) NCF1
SCHEMBL5022695 0.81 NCF1 (0.51) NCF1ADRB2ADRB1LMNAHTT

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
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 EP disclosed
CN-1627945-A Quinoline derivatives as NPY antagonists HOFFMANN LA ROCHE (CH) 2005-06-15 CN disclosed
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 US disclosed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 US disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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-20030153553-A1 Quinoline derivatives NPY1R, NPY4R, GLP1R NCF1 1858/4885ADRB2 519/4885ADRB1 141/4885

“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.