SCHEMBL3501351

SCHEMBL3501351

COc1ccc(-c2ccc3c(ccc(=O)n3-c3nc4ccccc4[nH]3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KMT2A Q03164 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
MEN1 O00255 2/20 0.59
TP53 P04637 2/20 0.59
GAA P10253 2/20 0.59
MAPT P10636 2/20 0.59
CASP1 P29466 2/20 0.59
USP2 O75604 1/20 0.59
LMNA P02545 1/20 0.59
OPRK1 P41145 1/20 0.59
CASP7 P55210 1/20 0.59
HSD17B10 Q99714 1/20 0.59
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
AURKA O14965 6/20 0.45

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
SCHEMBL3503054 0.92 KDM4E (0.52) KDM4ERAB9ASMN1; SMN2KMT2ATDP1
SCHEMBL1054750 0.85 KDM4E (0.56) KDM4ERAB9ASMN1; SMN2KMT2ATDP1
SCHEMBL3502168 0.85 KDM4E (0.47) KDM4ERAB9ASMN1; SMN2KMT2ATDP1
SCHEMBL3501837 0.81 AURKA (0.50) KDM4ERAB9ASMN1; SMN2KMT2ATDP1
SCHEMBL3741201 0.80 AURKA (0.48) KDM4ERAB9ASMN1; SMN2KMT2ATDP1
SCHEMBL4305932 0.78 AURKA (0.52) KDM4ERAB9ASMN1; SMN2KMT2ATDP1
SCHEMBL3500883 0.78 AURKA (0.64) KDM4ERAB9ASMN1; SMN2KMT2ATDP1
SCHEMBL1054292 0.77 AURKA (0.64) KDM4ERAB9ASMN1; SMN2KMT2ATDP1
SCHEMBL3502120 0.74 AURKA (0.53) KDM4ERAB9ASMN1; SMN2KMT2ATDP1
SCHEMBL1052301 0.72 AURKA (0.69) KDM4ERAB9AKMT2ATDP1L3MBTL1

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 4563/4885RAB9A 651/4885SMN1; SMN2 1733/4885
US-20050054672-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor;angiogenesis inhibitor; anticarcinogenic agents VEGFA, FLT1, KDR KDM4E 3745/4885RAB9A 3308/4885SMN1; SMN2 4303/4885
US-20050209456-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor; angiogenesis inhibitor; anticancer agents KDR, FLT4, FLT1 KDM4E 776/4885RAB9A 2799/4885SMN1; SMN2 4830/4885
US-20100184754-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 KDM4E 4563/4885RAB9A 651/4885SMN1; SMN2 1733/4885

“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.