SCHEMBL3501837

SCHEMBL3501837

COc1cc2ccc(=O)n(-c3nc4ccccc4[nH]3)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.50
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
CASP1 P29466 2/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
OPRK1 P41145 1/20 0.47
RAB9A P51151 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALKBH3 Q96Q83 2/20 0.47
POLB P06746 4/20 0.44
ALOX15 P16050 2/20 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
SCHEMBL1054750 0.85 KDM4E (0.56) AURKAKDM4ETDP1L3MBTL1LMNA
SCHEMBL3502168 0.83 KDM4E (0.47) AURKAKDM4ETDP1L3MBTL1LMNA
SCHEMBL3502120 0.81 AURKA (0.53) AURKAKDM4ETDP1L3MBTL1LMNA
SCHEMBL3501351 0.81 KDM4E (0.59) AURKAKDM4ETDP1L3MBTL1LMNA
SCHEMBL3503054 0.79 KDM4E (0.52) AURKAKDM4ETDP1L3MBTL1LMNA
SCHEMBL1054292 0.79 AURKA (0.64) AURKAKDM4ETDP1L3MBTL1MAPT
SCHEMBL1052301 0.79 AURKA (0.69) AURKAKDM4ETDP1L3MBTL1MAPT
SCHEMBL1054586 0.79 AURKA (0.53) AURKAKDM4ETDP1L3MBTL1MAPT
SCHEMBL3500883 0.78 AURKA (0.64) AURKAKDM4ETDP1L3MBTL1LMNA
SCHEMBL4305932 0.78 AURKA (0.52) AURKAKDM4ETDP1L3MBTL1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184754-A1 QUINOLINONE DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-07-22 US disclosed
US-7598268-B2 Quinolinone derivatives NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-10-06 US disclosed
US-20080070906-A1 QUINOLINONE DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-03-20 US disclosed
US-7335774-B2 Quinolinone derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-02-26 US disclosed
US-20050209456-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor; angiogenesis inhibitor; anticancer agents CHIRON CORPORATION 2005-09-22 US disclosed
US-20050054672-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor;angiogenesis inhibitor; anticarcinogenic agents CHIRON CORPORATION 2005-03-10 US disclosed
US-6800760-B2 INHIBITORS OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASE CHIRON CORPORATION 2004-10-05 US disclosed
US-6774237-B2 VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASES INHIBITORS; ANGIOGENESIS INHIBITORS, ANTICARCINOGENIC AGENTS CHIRON CORPORATION 2004-08-10 US disclosed
US-6762194-B2 VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITORS CHIRON CORPORATION 2004-07-13 US disclosed
US-6605617-B2 Treating a patient in need of an inhibitor of vascular endothelial growth factor receptor tyrosine kinase CHIRON CORPORATION 2003-08-12 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 (4 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-20080070906-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 AURKA 1124/4885KDM4E 4563/4885TDP1 1883/4885
US-20050054672-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor;angiogenesis inhibitor; anticarcinogenic agents VEGFA, FLT1, KDR AURKA 265/4885KDM4E 3745/4885TDP1 1197/4885
US-20050209456-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor; angiogenesis inhibitor; anticancer agents KDR, FLT4, FLT1 AURKA 30/4885KDM4E 776/4885TDP1 3258/4885
US-20100184754-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 AURKA 1124/4885KDM4E 4563/4885TDP1 1883/4885

“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.