SCHEMBL3502168

SCHEMBL3502168

COc1ccccc1-c1ccc2c(ccc(=O)n2-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
CASP1 P29466 2/20 0.47
USP2 O75604 1/20 0.47
OPRK1 P41145 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
AURKA O14965 6/20 0.44
TNKS2 Q9H2K2 1/20 0.42
ALKBH3 Q96Q83 2/20 0.41
ABL1 P00519 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
SCHEMBL3501351 0.85 KDM4E (0.59) KDM4EMAPTGAATDP1L3MBTL1
SCHEMBL3501837 0.83 AURKA (0.50) KDM4EMAPTGAATDP1L3MBTL1
SCHEMBL3503054 0.83 KDM4E (0.52) KDM4EMAPTGAATDP1L3MBTL1
SCHEMBL4305932 0.79 AURKA (0.52) KDM4EMAPTGAATDP1L3MBTL1
SCHEMBL1054750 0.77 KDM4E (0.56) KDM4EMAPTGAATDP1L3MBTL1
SCHEMBL3741201 0.77 AURKA (0.48) KDM4EMAPTGAATDP1L3MBTL1
SCHEMBL3500883 0.76 AURKA (0.64) KDM4EMAPTGAATDP1L3MBTL1
SCHEMBL1054292 0.75 AURKA (0.64) KDM4EMAPTGAATDP1L3MBTL1
SCHEMBL1054586 0.73 AURKA (0.53) KDM4EMAPTGAATDP1L3MBTL1
SCHEMBL3502120 0.73 AURKA (0.53) KDM4EMAPTGAATDP1L3MBTL1

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 KDM4E 4563/4885MAPT 1907/4885GAA 225/4885
US-20050054672-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor;angiogenesis inhibitor; anticarcinogenic agents VEGFA, FLT1, KDR KDM4E 3745/4885MAPT 2209/4885GAA 547/4885
US-20050209456-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor; angiogenesis inhibitor; anticancer agents KDR, FLT4, FLT1 KDM4E 776/4885MAPT 3285/4885GAA 1477/4885
US-20100184754-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 KDM4E 4563/4885MAPT 1907/4885GAA 225/4885

“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.