SCHEMBL3501389

SCHEMBL3501389

COc1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.69
PDGFRB P09619 1/20 0.69
FGFR1 P11362 1/20 0.69
SMN1; SMN2 Q16637 7/20 0.56
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
PKM P14618 1/20 0.56
MAPT P10636 5/20 0.54
TP53 P04637 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TLR9 Q9NR96 1/20 0.54
HPGD P15428 3/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL3499246 0.83 KDR (0.63) KDRPDGFRBFGFR1SMN1; SMN2NPC1
SCHEMBL3503147 0.82 KDR (1.00) KDRPDGFRBFGFR1SMN1; SMN2NPC1
SCHEMBL4298828 0.81 KDR (0.74) KDRPDGFRBFGFR1SMN1; SMN2NPC1
SCHEMBL6159003 0.81 KDR (0.74) KDRPDGFRBFGFR1SMN1; SMN2NPC1
SCHEMBL4300569 0.81 KDR (0.74) KDRPDGFRBFGFR1SMN1; SMN2NPC1
SCHEMBL8788256 0.80 MAPT (0.70) KDRSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL3502778 0.80 KDR (0.61) KDRPDGFRBFGFR1SMN1; SMN2NPC1
SCHEMBL3125413 0.80 NPC1 (0.75) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL8987358 0.79 ALDH1A1 (0.59) KDRPDGFRBSMN1; SMN2NPC1RAB9A
SCHEMBL28673804 0.78 NPC1 (0.67) KDRPDGFRBFGFR1SMN1; SMN2NPC1

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 11 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-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 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 (5 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 KDR 4147/4885PDGFRB 4032/4885FGFR1 2959/4885
US-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 KDR 4671/4885PDGFRB 3508/4885FGFR1 3018/4885
US-20050054672-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor;angiogenesis inhibitor; anticarcinogenic agents VEGFA, FLT1, KDR KDR 3/4885PDGFRB 49/4885FGFR1 10/4885
US-20050209456-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor; angiogenesis inhibitor; anticancer agents KDR, FLT4, FLT1 KDR 1/4885PDGFRB 26/4885FGFR1 23/4885
US-20100184754-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 KDR 4147/4885PDGFRB 4032/4885FGFR1 2959/4885

“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.