SCHEMBL5024461

SCHEMBL5024461

Cc1cc(N2CCCC2)c2ccc(NCc3sccc3C)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.47
HRH4 Q9H3N8 1/20 0.43
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPK1 P28482 3/20 0.37
HTT P42858 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PNP P00491 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
ALDH1A1 P00352 2/20 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
SCHEMBL5025319 0.83 KDM4E (0.54) NCF1KDM4EHTTMAPTSMN1; SMN2
SCHEMBL5028620 0.81 NCF1 (0.55) NCF1HRH4ADRB2ADRB1MAPK1
SCHEMBL5022553 0.80 NCF1 (0.51) NCF1ADRB2ADRB1KDM4EMAPK1
SCHEMBL5024554 0.80 NCF1 (0.51) NCF1KDM4EHTTMAPTSMN1; SMN2
SCHEMBL5028716 0.79 NCF1 (0.50) NCF1ADRB2ADRB1KDM4EMAPK1
SCHEMBL5024407 0.79 NCF1 (0.50) NCF1ADRB2ADRB1KDM4EMAPK1
SCHEMBL5026871 0.78 NPC1 (0.52) NCF1KDM4EMAPK1HTTMAPT
SCHEMBL5024388 0.78 CTNNB1 (0.49) NCF1MEN1KMT2AGAA
SCHEMBL5025329 0.78 NCF1 (0.53) NCF1ADRB2ADRB1KDM4EMAPK1
SCHEMBL5024412 0.78 NCF1 (0.53) NCF1ADRB2ADRB1KDM4EMAPK1

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 1858/4885HRH4 805/4885ADRB2 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.