SCHEMBL4283542

SCHEMBL4283542

c1ccc2[nH]c(-c3cnc4ccccc4c3NCc3ccncc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.56
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPK1 P28482 1/20 0.51
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
RAD52 P43351 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 2/20 0.43
METAP2 P50579 1/20 0.42
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41

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
SCHEMBL4285711 0.89 ALDH1A1 (0.58) SYKKDM4EALDH1A1RAB9ANPC1
SCHEMBL1054175 0.80 TERT (0.53) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL14796274 0.76 FGFR1 (0.64) SYKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4289240 0.72 ADORA3 (0.43) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL4288330 0.72 ADORA3 (0.46) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL14796318 0.69 CHEK1 (0.60) SYKFGFR1FLT1CHEK1
SCHEMBL29858384 0.69 NPC1 (1.00) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL3078070 0.69 NPC1 (1.00) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL3728503 0.69 FGFR1 (0.56) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL3736514 0.68 ALDH1A1 (0.57) KDM4EALDH1A1RAB9ANPC1HPGD

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 7 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-20090202472-A1 MOLECULES AND CHIMERIC MOLECULES THEREOF APOLLO LIFE SCIENCES LIMITED (AU) 2009-08-13 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-20090175819-A1 MOLECULE AND CHIMERIC MOLECULES THEREOF APOLLO LIFE SCIENCES LIMITED (AU) 2009-07-09 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 (7 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-20090175819-A1 MOLECULE AND CHIMERIC MOLECULES THEREOF IL2RA, IFNAR1, IL2 SYK 3884/4885KDM4E 4751/4885ALDH1A1 2219/4885
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 SYK 4719/4885KDM4E 3069/4885ALDH1A1 1479/4885
US-20090202472-A1 MOLECULES AND CHIMERIC MOLECULES THEREOF IL2RA, IL2, IL15RA SYK 969/4885KDM4E 3764/4885ALDH1A1 2591/4885
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 SYK 4719/4885KDM4E 3069/4885ALDH1A1 1479/4885
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 SYK 566/4885KDM4E 1710/4885ALDH1A1 1023/4885
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 SYK 4719/4885KDM4E 3069/4885ALDH1A1 1479/4885
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 SYK 4719/4885KDM4E 3069/4885ALDH1A1 1479/4885

“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.