SCHEMBL4553071

SCHEMBL4553071

O=c1ccc2ccc(-n3ccnc3)cc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.54
CYP11B1 P15538 2/20 0.54
CYP11B2 P19099 2/20 0.54
PDE3B Q13370 7/20 0.51
PDE3A Q14432 7/20 0.51
CRBN Q96SW2 2/20 0.50
TBXAS1 P24557 2/20 0.50
CBFB Q13951 1/20 0.48
IDO1 P14902 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
PGR P06401 1/20 0.44
ADH5 P11766 1/20 0.44

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
SCHEMBL10464389 0.90 CYP19A1 (0.56) CYP19A1CYP11B1CYP11B2PDE3BPDE3A
Hydrochloric Acid SCHEMBL1901146 0.88 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL9598976 0.79 FBP1 (0.53) CYP19A1CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL25597314 0.78 CYP19A1 (0.57) CYP19A1CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL21676341 0.78 GRIK1 (0.52) CYP19A1CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL4553354 0.77 CA12 (0.51) PDE3BPDE3ATBXAS1IDO1
SCHEMBL1081852 0.77 PDE3B (0.46) CYP19A1CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL4554379 0.77 PDE3B (0.46) CYP19A1CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL23839233 0.76 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL7349312 0.74 PDE3B (0.50) CYP19A1CYP11B1CYP11B2PDE3BPDE3A

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 CYP19A1 2161/4885CYP11B1 650/4885CYP11B2 470/4885
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 CYP19A1 2161/4885CYP11B1 650/4885CYP11B2 470/4885
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 CYP19A1 2959/4885CYP11B1 2503/4885CYP11B2 2869/4885
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 CYP19A1 2161/4885CYP11B1 650/4885CYP11B2 470/4885
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 CYP19A1 2161/4885CYP11B1 650/4885CYP11B2 470/4885

“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.