SCHEMBL3501534

SCHEMBL3501534

O=c1ccc2cc(F)c(N3CCCCC3)cc2n1-c1nc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.52
ACHE P22303 2/20 0.52
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
AURKA O14965 7/20 0.44
EGLN1 Q9GZT9 1/20 0.41
HTR3A P46098 1/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALKBH3 Q96Q83 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL3502114 0.99 BCHE (0.50) BCHEACHENPC1RAB9ASMN1; SMN2
SCHEMBL3502287 0.90 HTR3A (0.50) BCHEACHENPC1RAB9AAURKA
SCHEMBL3502230 0.90 TP53 (0.54) BCHEACHENPC1RAB9ASMN1; SMN2
SCHEMBL3502120 0.84 AURKA (0.53) BCHEACHENPC1RAB9ASMN1; SMN2
SCHEMBL3501399 0.80 AURKA (0.42) AURKATP53KDM4EALKBH3MAPT
SCHEMBL3501780 0.78 AURKA (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL1054586 0.77 AURKA (0.53) NPC1RAB9ASMN1; SMN2AURKATP53
SCHEMBL4305932 0.76 AURKA (0.52) NPC1RAB9ASMN1; SMN2AURKATP53
SCHEMBL3500007 0.74 AURKA (0.43) ALDH1A1AURKATP53KDM4EALKBH3
SCHEMBL1054292 0.73 AURKA (0.64) BCHEACHENPC1RAB9ASMN1; SMN2

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 BCHE 2329/4885ACHE 834/4885NPC1 214/4885
US-20050054672-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor;angiogenesis inhibitor; anticarcinogenic agents VEGFA, FLT1, KDR BCHE 4441/4885ACHE 4438/4885NPC1 2332/4885
US-20050209456-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor; angiogenesis inhibitor; anticancer agents KDR, FLT4, FLT1 BCHE 4635/4885ACHE 4670/4885NPC1 4748/4885
US-20100184754-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 BCHE 2329/4885ACHE 834/4885NPC1 214/4885

“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.