SCHEMBL1050109

SCHEMBL1050109

O=c1[nH]c2ccc(Cl)cc2c(Nc2ccccc2)c1-c1nc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.66
PDGFRB P09619 5/20 0.57
FGFR1 P11362 5/20 0.57
KDR P35968 5/20 0.57
FLT1 P17948 2/20 0.51
PYGM P11217 1/20 0.49
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
AKT1 P31749 1/20 0.46
AKT2 P31751 1/20 0.46
AKT3 Q9Y243 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL14795539 0.93 CHEK1 (0.63) CHEK1PDGFRBFGFR1KDRFLT1
SCHEMBL14795407 0.90 CHEK1 (0.60) CHEK1PDGFRBFGFR1KDRFLT1
SCHEMBL3382190 0.87 FGFR1 (0.73) CHEK1PDGFRBFGFR1KDRFLT1
SCHEMBL14795496 0.84 FGFR1 (0.54) CHEK1PDGFRBFGFR1KDRFLT1
SCHEMBL14795537 0.82 CHEK1 (0.63) CHEK1PDGFRBFGFR1KDRFLT1
SCHEMBL14268438 0.82 CHEK1 (0.59) CHEK1PDGFRBFGFR1KDRFLT1
SCHEMBL14795724 0.82 FGFR1 (0.51) CHEK1PDGFRBFGFR1KDRFLT1
SCHEMBL1055018 0.81 FGFR1 (0.74) CHEK1PDGFRBFGFR1KDRFLT1
SCHEMBL13041385 0.81 CHEK1 (0.60) CHEK1PDGFRBFGFR1KDRFLT1
SCHEMBL14796273 0.81 CHEK1 (0.84) CHEK1

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
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS AG (CH) 2014-10-09 US disclosed
EP-2762475-A1 Pharmaceutically acceptable salts of quinolinone compounds and their medical use Novartis Vaccines and Diagnostics, Inc. (US) 2014-08-06 EP 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-7875624-B2 administering a cancer patient 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one in the treatment of disorders relating to cell adhesion and metastatic processes; for monitoring the effects of drug by measuring the levels of ICAM, VCAM, or E-selectin in the patient NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-01-25 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-20050239825-A1 Modulation of inflammatory and metastatic processes CHIRON CORPORATION 2005-10-27 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 (6 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 CHEK1 3620/4885PDGFRB 4330/4885FGFR1 1237/4885
US-20050239825-A1 Modulation of inflammatory and metastatic processes VCAM1, EPCAM, ICAM1 CHEK1 1637/4885PDGFRB 776/4885FGFR1 352/4885
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 CHEK1 3620/4885PDGFRB 4330/4885FGFR1 1237/4885
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 CHEK1 1873/4885PDGFRB 162/4885FGFR1 4/4885
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 CHEK1 3620/4885PDGFRB 4330/4885FGFR1 1237/4885
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 CHEK1 3620/4885PDGFRB 4330/4885FGFR1 1237/4885

“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.