SCHEMBL3500138

SCHEMBL3500138

CN(C)CCNc1cc2c(ccc(=O)n2-c2nc3ccccc3[nH]2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
AURKA O14965 8/20 0.41
CHEK1 O14757 1/20 0.40
NCF1 P14598 2/20 0.39
ALKBH3 Q96Q83 1/20 0.39
NQO1 P15559 2/20 0.39
NQO2 P16083 2/20 0.39
SLC2A1 P11166 1/20 0.38
TOP2A P11388 1/20 0.38
TERT O14746 1/20 0.38
KDM4A O75164 1/20 0.38
KDM4B O94953 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3502454 0.86 KDM4E (0.51) KDM4EAURKAALKBH3NQO1NQO2
SCHEMBL3500007 0.84 AURKA (0.43) KDM4EAURKAALKBH3KDM4AKDM4B
SCHEMBL3500914 0.83 STK33 (0.40) KDM4EAURKAALKBH3KDM4AKDM4B
SCHEMBL3502120 0.82 AURKA (0.53) KDM4EAURKAALKBH3POLBALOX15
SCHEMBL3501780 0.81 AURKA (0.46) KDM4EAURKAALKBH3KDM4AKDM4B
SCHEMBL1054586 0.75 AURKA (0.53) KDM4EAURKAALKBH3POLBALOX15
SCHEMBL4305932 0.74 AURKA (0.52) KDM4EAURKAALKBH3POLBALOX15
SCHEMBL3502114 0.73 BCHE (0.50) KDM4EAURKAALKBH3
SCHEMBL3502287 0.73 HTR3A (0.50) KDM4EAURKAALKBH3
SCHEMBL3501534 0.73 BCHE (0.52) KDM4EAURKAALKBH3

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 4563/4885AURKA 1124/4885CHEK1 3447/4885
US-20050054672-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor;angiogenesis inhibitor; anticarcinogenic agents VEGFA, FLT1, KDR KDM4E 3745/4885AURKA 265/4885CHEK1 1308/4885
US-20050209456-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor; angiogenesis inhibitor; anticancer agents KDR, FLT4, FLT1 KDM4E 776/4885AURKA 30/4885CHEK1 633/4885
US-20100184754-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 KDM4E 4563/4885AURKA 1124/4885CHEK1 3447/4885

“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.