SCHEMBL3500914

SCHEMBL3500914

O=c1ccc2cc(F)c(NCCc3ccccn3)cc2n1-c1nc2ccccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK33 Q9BYT3 1/20 0.40
AURKA O14965 5/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ACP1 P24666 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALKBH3 Q96Q83 1/20 0.37
IGF1R P08069 1/20 0.36
MAPK8 P45983 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MAOB P27338 1/20 0.36
PKM P14618 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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 0.83 KDM4E (0.51) AURKAKDM4EALKBH3PKMKDM4A
SCHEMBL3500138 0.83 KDM4E (0.42) AURKAKDM4EALKBH3KDM4AKDM4B
SCHEMBL3500007 0.81 AURKA (0.43) AURKAKDM4EALKBH3KDM4AKDM4B
SCHEMBL3502120 0.79 AURKA (0.53) AURKAKDM4EALKBH3PKMPOLB
SCHEMBL1082546 0.75 CYP1A2 (0.43) ADORA2AADORA1ACP1KDM4EIGF1R
SCHEMBL3501780 0.74 AURKA (0.46) AURKAKDM4EALKBH3PKMKDM4A
SCHEMBL1054586 0.72 AURKA (0.53) AURKAKDM4EALKBH3POLBALOX15
SCHEMBL4305932 0.71 AURKA (0.52) AURKAKDM4EALKBH3POLBALOX15
SCHEMBL3502114 0.71 BCHE (0.50) AURKAKDM4EALKBH3PKM
SCHEMBL3502287 0.71 HTR3A (0.50) AURKAKDM4EALKBH3

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 STK33 3473/4885AURKA 1124/4885ADORA2A 1720/4885
US-20050054672-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor;angiogenesis inhibitor; anticarcinogenic agents VEGFA, FLT1, KDR STK33 860/4885AURKA 265/4885ADORA2A 3226/4885
US-20050209456-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor; angiogenesis inhibitor; anticancer agents KDR, FLT4, FLT1 STK33 234/4885AURKA 30/4885ADORA2A 3389/4885
US-20100184754-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 STK33 3473/4885AURKA 1124/4885ADORA2A 1720/4885

“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.