SCHEMBL5025398

SCHEMBL5025398

Cc1cc(N2CCCC2)c2ccc(NCc3cccc4ccccc34)cc2n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 6/20 0.56
▸ ACHE P22303 2/20 0.47
▸ ADRB2 P07550 1/20 0.46
▸ ADRB1 P08588 1/20 0.46
▸ GFER P55789 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CD38 P28907 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40

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
SCHEMBL5028620 0.89 NCF1 (0.55) NCF1ADRB2ADRB1MEN1KMT2A
SCHEMBL5024407 0.87 NCF1 (0.50) NCF1ADRB2ADRB1MEN1KMT2A
SCHEMBL5022538 0.87 NCF1 (0.53) NCF1ADRB2ADRB1MEN1KMT2A
SCHEMBL5024510 0.85 KDM4E (0.56) NCF1GFERMEN1KMT2AUSP2
SCHEMBL5026888 0.85 NCF1 (0.50) NCF1ADRB2ADRB1MEN1KMT2A
SCHEMBL5022695 0.82 NCF1 (0.51) NCF1ADRB2ADRB1MEN1KMT2A
SCHEMBL5022553 0.80 NCF1 (0.51) NCF1ADRB2ADRB1MEN1KMT2A
SCHEMBL5024554 0.80 NCF1 (0.51) NCF1MEN1KMT2AHTTHSD17B10
SCHEMBL5028650 0.80 NCF1 (0.46) NCF1
SCHEMBL5028660 0.79 NCF1 (0.51) NCF1ADRB2ADRB1MEN1KMT2A

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 4 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
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

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 1858/4885ACHE 1701/4885ADRB2 519/4885

“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.

Send feedback