SCHEMBL3501780

SCHEMBL3501780

CN(C)c1cc2c(ccc(=O)n2-c2nc3ccccc3[nH]2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.46
KDM4E B2RXH2 6/20 0.44
ALKBH3 Q96Q83 3/20 0.44
MAPT P10636 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALPL P05186 2/20 0.40
ALPI P09923 2/20 0.40
ALPG P10696 2/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
HSP90AA1 P07900 2/20 0.39
PKM P14618 2/20 0.39

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
SCHEMBL3502120 0.87 AURKA (0.53) AURKAKDM4EALKBH3MAPTMEN1
SCHEMBL3500138 0.81 KDM4E (0.42) AURKAKDM4EALKBH3TDP1L3MBTL1
SCHEMBL1054586 0.80 AURKA (0.53) AURKAKDM4EALKBH3MAPTMEN1
SCHEMBL3500007 0.79 AURKA (0.43) AURKAKDM4EALKBH3MAPTMEN1
SCHEMBL4305932 0.79 AURKA (0.52) AURKAKDM4EALKBH3MAPTMEN1
SCHEMBL3502114 0.78 BCHE (0.50) AURKAKDM4EALKBH3MAPTTP53
SCHEMBL3502287 0.78 HTR3A (0.50) AURKAKDM4EALKBH3RAB9ANPC1
SCHEMBL3501534 0.78 BCHE (0.52) AURKAKDM4EALKBH3MAPTTP53
SCHEMBL3502454 0.77 KDM4E (0.51) AURKAKDM4EALKBH3MAPTMEN1
SCHEMBL3501837 0.77 AURKA (0.50) AURKAKDM4EALKBH3MAPTMEN1

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 4563/4885ALKBH3 3814/4885
US-20050054672-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor;angiogenesis inhibitor; anticarcinogenic agents VEGFA, FLT1, KDR AURKA 265/4885KDM4E 3745/4885ALKBH3 2265/4885
US-20050209456-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor; angiogenesis inhibitor; anticancer agents KDR, FLT4, FLT1 AURKA 30/4885KDM4E 776/4885ALKBH3 2120/4885
US-20100184754-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 AURKA 1124/4885KDM4E 4563/4885ALKBH3 3814/4885

“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.