SCHEMBL5801060

SCHEMBL5801060

NCCc1ccc(-n2ccnc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
MAPT P10636 1/20 0.65
TBXAS1 P24557 2/20 0.59
ENPP2 Q13822 1/20 0.55
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
NOTUM Q6P988 1/20 0.55
CYP3A4 P08684 5/20 0.54
CYP2D6 P10635 3/20 0.54
CYP2C9 P11712 3/20 0.54
MEN1 O00255 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
LOXL2 Q9Y4K0 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C19 P33261 1/20 0.47
BAZ2B Q9UIF8 1/20 0.47
CYP51A1 Q16850 1/20 0.46

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
SCHEMBL1011668 0.85 LMNA (0.63) LMNAMAPTTBXAS1ENPP2MKNK1
Hydrochloric Acid SCHEMBL27516102 0.84 LMNA (0.61) LMNAMAPTTBXAS1ENPP2MKNK1
SCHEMBL8392830 0.82 CYP3A4 (0.69) LMNAMAPTTBXAS1ENPP2MKNK1
SCHEMBL27943949 0.82 TBXAS1 (0.59) LMNAMAPTTBXAS1ENPP2MKNK1
SCHEMBL12310548 0.82 CYP3A4 (0.59) LMNAMAPTTBXAS1ENPP2MKNK1
SCHEMBL21791731 0.81 LMNA (0.62) LMNAMAPTTBXAS1ENPP2MKNK1
SCHEMBL2532397 0.80 LMNA (0.78) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL28108298 0.79 CYP3A4 (0.65) LMNAMAPTTBXAS1ENPP2MKNK1
SCHEMBL9217637 0.79 LMNA (0.51) LMNAMAPTTBXAS1ENPP2MKNK1
SCHEMBL10762282 0.79 TBXAS1 (0.68) LMNAMAPTTBXAS1ENPP2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1882586-A 1H-imidazo[4,5-C]quinoline derivatives in the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2006-12-20 CN claimed
CN-1882586-A 1H-imidazo[4,5-C]quinoline derivatives in the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2006-12-20 CN disclosed
EP-1572209-A4 NOVEL QUINOXALINONE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS MERCK & CO INC (US) 2006-12-06 EP disclosed
EP-1572209-A1 NOVEL QUINOXALINONE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS Merck & Co., Inc. (US) 2005-09-14 EP disclosed
US-6908921-B2 Quinoxalinone derivatives as bradykinin B1 antagonists MERCK & CO., INC. (US) 2005-06-21 US disclosed
US-20050020591-A1 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds SU DAI-SHI (US) 2005-01-27 US disclosed
US-20040132733-A1 Novel quinoxalinone derivatives as bradykinin B1 antagonists MERCK & CO., INC. 2004-07-08 US disclosed
WO-2004054584-A1 NOVEL QUINOXALINONE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS MERCK & CO., INC. (US) 2004-07-01 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 (2 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-20050020591-A1 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds BDKRB1, BDKRB2, LTB4R2 LMNA 1671/4885MAPT 3668/4885TBXAS1 115/4885
US-20040132733-A1 Novel quinoxalinone derivatives as bradykinin B1 antagonists BDKRB1, BDKRB2, LTB4R2 LMNA 1591/4885MAPT 3450/4885TBXAS1 68/4885

“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.