SCHEMBL4553923

SCHEMBL4553923

O=c1ccc2ccc(N3CCOCC3)cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
XDH P47989 1/20 0.52
ITK Q08881 1/20 0.49
KDM4E B2RXH2 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
NSD2 O96028 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
CASP6 P55212 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC16A3 O15427 1/20 0.48
PIK3CD O00329 2/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CB P42338 2/20 0.47
LGMN Q99538 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
SCHEMBL30480900 1.00 MAPK1 (0.59) MAPK1PDE3BPDE3AXDHITK
SCHEMBL6579030 0.86 MAPK1 (0.50) MAPK1PDE3BPDE3AMAPTMEN1
SCHEMBL27771950 0.83 HTR3E (0.56) MAPK1KDM4ELMNAMAPTHTT
SCHEMBL10656773 0.82 HTR1A (0.46) MAPK1PDE3BPDE3AHTR1ASLC6A2
SCHEMBL30355131 0.82 HTR3A (0.54) MAPK1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL4553001 0.82 HTR3A (0.54) MAPK1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL14580459 0.79 MAPK1 (0.55) MAPK1LMNAMAPTHTTSMN1; SMN2
SCHEMBL1083110 0.79 MAPK1 (0.55) MAPK1PDE3BPDE3AKDM4ECASP1
SCHEMBL18000190 0.79 ITK (0.51) MAPK1PDE3BPDE3AXDHITK
SCHEMBL27539133 0.79 ITK (0.51) MAPK1PDE3BPDE3AXDHITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS AG (CH) 2014-10-09 US disclosed
US-20130338171-A1 Pharmaceutically Acceptable Salts of Quinolinone Compounds Having Improved Pharmaceutical Properties NOVARTIS AG (CH) 2013-12-19 US disclosed
US-20130018058-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES CAI SHAOPEI (US) 2013-01-17 US disclosed
US-20090181979-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-07-16 US disclosed
US-20050209247-A1 Lactate salt of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one; improved water solubility and physicochemical properties (e.g., stability, hygroscopicity, crystallinity, and compactibility); vascular endothelial growth factor receptor tyrosine kinase inhibitors CHIRON CORPORATION 2005-09-22 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 (5 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-20130338171-A1 Pharmaceutically Acceptable Salts of Quinolinone Compounds Having Improved Pharmaceutical Properties H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 MAPK1 3881/4885PDE3B 3102/4885PDE3A 2286/4885
US-20090181979-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 MAPK1 3881/4885PDE3B 3102/4885PDE3A 2286/4885
US-20050209247-A1 Lactate salt of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one; improved water solubility and physicochemical properties (e.g., stability, hygroscopicity, crystallinity, and compactibility); vascular endothelial growth factor receptor tyrosine kinase inhibitors KDR, FLT4, FLT1 MAPK1 229/4885PDE3B 3579/4885PDE3A 3463/4885
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 MAPK1 3881/4885PDE3B 3102/4885PDE3A 2286/4885
US-20130018058-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 MAPK1 3881/4885PDE3B 3102/4885PDE3A 2286/4885

“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.