SCHEMBL5528840

SCHEMBL5528840

NCc1ccc2c(N)ccnc2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.58
SOS2 Q07890 1/20 0.58
ROCK1 Q13464 2/20 0.54
NCF1 P14598 1/20 0.50
LOXL2 Q9Y4K0 9/20 0.44
LOX P28300 3/20 0.44
LOXL3 P58215 1/20 0.44
FERMT2 Q96AC1 2/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL15219374 0.80 ROCK1 (0.49) ROCK1LOXL2LOXLOXL3NOS1
SCHEMBL5519979 0.80 LOXL2 (0.52) NR4A2SOS2ROCK1LOXL2LOX
SCHEMBL23420994 0.80 NR4A2 (0.51) NR4A2SOS2ROCK1NCF1
SCHEMBL12146616 0.79 ROCK1 (0.47) NR4A2SOS2ROCK1LOXL2LOX
SCHEMBL3073397 0.76 NR4A2 (0.66) NR4A2SOS2NCF1
SCHEMBL30044428 0.76 NR4A2 (0.66) NR4A2SOS2NCF1
SCHEMBL11916090 0.76 ROCK1 (0.45) NR4A2SOS2ROCK1LOXL2LOX
SCHEMBL3964351 0.74 ROCK1 (0.54) ROCK1
SCHEMBL2860410 0.74 LOXL2 (0.47) ROCK1LOXL2LOXLOXL3NOS1
SCHEMBL31367022 0.74 LOXL2 (0.47) ROCK1LOXL2LOXLOXL3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166589-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US disclosed
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity KLUG MICHAEL G 2006-07-06 US disclosed
US-7064134-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-06-20 US disclosed
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity KLUG MICHAEL G 2006-03-23 US disclosed
US-7012073-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-03-14 US disclosed
US-20040259858-A1 Quinoline derivatives KLUG MICHAEL G (US) 2004-12-23 US disclosed
US-6787558-B2 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS, FOR TREATING ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS AND OBESITY HOFFMANN-LA ROCHE INC. 2004-09-07 US disclosed
EP-1432421-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2004-06-30 EP disclosed
US-20030158179-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2003-08-21 US disclosed
WO-2003028726-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 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 (4 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-20030158179-A1 Quinoline derivatives RAB1A, GLS, REN NR4A2 1189/4885SOS2 4528/4885ROCK1 1048/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R NR4A2 1010/4885SOS2 4683/4885ROCK1 1599/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN NR4A2 1189/4885SOS2 4528/4885ROCK1 1048/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R NR4A2 1356/4885SOS2 4825/4885ROCK1 1604/4885

“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.