SCHEMBL4282498

SCHEMBL4282498

Clc1ccc2ncc(-c3nc4ccccc4[nH]3)c(NC3CCCCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.52
RIPK1 Q13546 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
GPR55 Q9Y2T6 1/20 0.43
AURKA O14965 1/20 0.42
PRKD3 O94806 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42
CCNA2 P20248 1/20 0.42
PRKCH P24723 1/20 0.42
CDK2 P24941 1/20 0.42
PRKCI P41743 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42

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
SCHEMBL4285975 0.91 CHEK1 (0.64) CHEK1ADORA3KDM4ENPC1ALDH1A1
SCHEMBL4297257 0.90 CHEK1 (0.66) CHEK1AURKAPRKD3PRKCGPRKCB
SCHEMBL4286338 0.87 CHEK1 (0.65) CHEK1AURKAPRKD3PRKCGPRKCB
SCHEMBL4285737 0.83 CHEK1 (0.61) CHEK1ADORA3AURKAPRKD3PRKCG
SCHEMBL29689930 0.81 CHEK1 (0.66) CHEK1ADORA3AURKAPRKD3PRKCG
SCHEMBL3730930 0.80 ADORA3 (0.48) ADORA3KDM4ENPC1ALDH1A1RAB9A
SCHEMBL4291461 0.80 CHEK1 (0.62) CHEK1AURKAPRKD3PRKCGPRKCB
SCHEMBL4286313 0.79 CHEK1 (0.64) CHEK1SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL4283539 0.78 CHEK1 (0.52) CHEK1AURKAPRKD3PRKCGPRKCB
SCHEMBL4294267 0.78 CHEK1 (0.52) CHEK1AURKAPRKD3PRKCGPRKCB

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 CHEK1 3620/4885RIPK1 4046/4885SMN1; SMN2 246/4885
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 3620/4885RIPK1 4046/4885SMN1; SMN2 246/4885
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 1873/4885RIPK1 2567/4885SMN1; SMN2 3637/4885
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 3620/4885RIPK1 4046/4885SMN1; SMN2 246/4885
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 3620/4885RIPK1 4046/4885SMN1; SMN2 246/4885

“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.