SCHEMBL5522936

SCHEMBL5522936

NC(=O)c1ccc2c(N)ccnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.54
SOS2 Q07890 1/20 0.54
NCF1 P14598 1/20 0.47
CSNK2A1 P68400 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
SMYD3 Q9H7B4 1/20 0.43
KDM4B O94953 1/20 0.42
KDM5C P41229 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
NNMT P40261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MET P08581 1/20 0.41
FGFR1 P11362 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 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
SCHEMBL437621 0.86 NR4A2 (0.54) NR4A2SOS2NCF1SMYD3KDM4B
SCHEMBL6202783 0.86 SMYD3 (0.56) NR4A2SOS2NCF1CSNK2A1HIPK2
SCHEMBL2174744 0.81 SMYD3 (0.48) NR4A2SOS2CSNK2A1HIPK2MKNK1
SCHEMBL18496671 0.81 CSNK2A1 (0.52) CSNK2A1HIPK2MKNK1MKNK2KDM4B
SCHEMBL3964347 0.76 MAP4K4 (0.51) CSNK2A1HIPK2MKNK1MKNK2NNMT
SCHEMBL31068028 0.76 HPGD (0.53) MKNK1MKNK2SMN1; SMN2HDAC3HDAC4
SCHEMBL359560 0.76 HPGD (0.53) MKNK1MKNK2SMN1; SMN2HDAC3HDAC4
SCHEMBL6204491 0.74 SMYD3 (0.60) NR4A2SOS2NCF1SMYD3SMN1; SMN2
SCHEMBL30044428 0.74 NR4A2 (0.66) NR4A2SOS2NCF1SMN1; SMN2KDM4E
SCHEMBL3073397 0.74 NR4A2 (0.66) NR4A2SOS2NCF1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017025493-A1 QUINOLINE EZH2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-16 WO disclosed
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 4528/4885NCF1 1277/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R NR4A2 1010/4885SOS2 4683/4885NCF1 1911/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN NR4A2 1189/4885SOS2 4528/4885NCF1 1277/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R NR4A2 1356/4885SOS2 4825/4885NCF1 1865/4885

“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.