SCHEMBL4553336

SCHEMBL4553336

O=c1ccc2cc(F)c(N3CC[C@@H](O)C3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
MAPK1 P28482 2/20 0.37
PRKDC P78527 1/20 0.37
ATIC P31939 2/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
F10 P00742 1/20 0.35
PDE2A O00408 1/20 0.35
MGLL Q99685 1/20 0.35
ENPP1 P22413 1/20 0.34

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
SCHEMBL4282461 0.93 MAPK1 (0.40) HRH3MAPK1ATICPDE3BPDE3A
SCHEMBL4553967 0.82 WDR5 (0.41) MAPK1MEN1KMT2A
SCHEMBL4552745 0.82 WDR5 (0.41) MAPK1MEN1KMT2A
SCHEMBL4552883 0.81 MEN1 (0.43) MAPK1MEN1KMT2ARXFP1
SCHEMBL1082894 0.80 MAPK1 (0.51) MAPK1MGLL
SCHEMBL1082682 0.79 MAPK1 (0.53) HRH3MAPK1
SCHEMBL9687139 0.78 KDR (0.52) MAPK1
SCHEMBL1083110 0.76 MAPK1 (0.55) MAPK1PDE3BPDE3A
SCHEMBL1081464 0.76 OPRL1 (0.46) MAPK1PDE3BPDE3A
SCHEMBL4553260 0.76 PDE10A (0.41) PDE3BPDE3A

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 HRH3 1162/4885MAPK1 3881/4885PRKDC 4187/4885
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 HRH3 1162/4885MAPK1 3881/4885PRKDC 4187/4885
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 HRH3 1563/4885MAPK1 229/4885PRKDC 1464/4885
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 HRH3 1162/4885MAPK1 3881/4885PRKDC 4187/4885
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 HRH3 1162/4885MAPK1 3881/4885PRKDC 4187/4885

“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.