SCHEMBL3587496

SCHEMBL3587496

CCOC(=O)Cc1ccc(C(F)(F)F)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
KCNQ4 P56696 1/20 0.50
KCNQ5 Q9NR82 1/20 0.50
SYK P43405 1/20 0.47
MAOB P27338 2/20 0.46
PPARD Q03181 1/20 0.43
CYP4Z1 Q86W10 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL31067871 0.86 CYP4F2 (0.54) KCNQ3KCNQ2KCNQ4KCNQ5SYK
SCHEMBL25245034 0.86 CYP4F2 (0.54) KCNQ3KCNQ2KCNQ4KCNQ5SYK
SCHEMBL28093133 0.85 LMNA (0.49) KCNQ3KCNQ2KCNQ4KCNQ5SYK
SCHEMBL3928478 0.83 KCNQ3 (0.47) KCNQ3KCNQ2KCNQ4KCNQ5SYK
SCHEMBL13301958 0.82 KCNQ3 (0.53) KCNQ3KCNQ2KCNQ4KCNQ5SYK
SCHEMBL17634090 0.82 PPARD (0.43) KCNQ3KCNQ2KCNQ4KCNQ5PPARD
SCHEMBL16046715 0.80 MAOB (0.74) KCNQ3KCNQ2KCNQ4KCNQ5SYK
SCHEMBL3963929 0.80 TRPV4 (0.44) KCNQ3KCNQ2KCNQ4KCNQ5MAOB
SCHEMBL2503936 0.80 CYP4Z1 (0.50) MAOBCYP4Z1SMN1; SMN2LMNATSHR
SCHEMBL25213650 0.79 KCNQ3 (0.47) KCNQ3KCNQ2KCNQ4KCNQ5PPARD

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-07-30 US disclosed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 US disclosed
US-9085572-B2 4-(pyridin-3-yl)-2(pyridin-2yl)-1,2-dihydro-3H-pyrazol-3-one derivatives as specific HIF-pyrolyl-4-hydroxylase inhibitors for treating cardiovascular and haematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-21 US disclosed
US-9085572-B2 4-(pyridin-3-yl)-2(pyridin-2yl)-1,2-dihydro-3H-pyrazol-3-one derivatives as specific HIF-pyrolyl-4-hydroxylase inhibitors for treating cardiovascular and haematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-21 US disclosed
US-9085572-B2 4-(pyridin-3-yl)-2(pyridin-2yl)-1,2-dihydro-3H-pyrazol-3-one derivatives as specific HIF-pyrolyl-4-hydroxylase inhibitors for treating cardiovascular and haematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-21 US disclosed
US-20120322772-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-20 US disclosed
US-20120322772-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-20 US disclosed
US-20120322772-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-20 US disclosed
US-8252817-B2 Dipyridyl-dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-28 US disclosed
US-8252817-B2 Dipyridyl-dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-28 US disclosed
US-8252817-B2 Dipyridyl-dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-28 US disclosed
US-20100035906-A1 Dipyridyl-dihydropyrazolones and their use BAYER HEALTHCARE AG (DE) 2010-02-11 US disclosed
US-20100035906-A1 Dipyridyl-dihydropyrazolones and their use BAYER HEALTHCARE AG (DE) 2010-02-11 US disclosed
US-20100035906-A1 Dipyridyl-dihydropyrazolones and their use BAYER HEALTHCARE AG (DE) 2010-02-11 US disclosed
WO-2009100403-A1 SUBSTITUTED ARYL PYRIMIDINONES NEUROGEN CORPORATION (US) 2009-08-13 WO disclosed
EP-1877396-B1 4-(PYRIDIN-3-YL)-2-(PYRIDIN-2-YL)-1,2-DIHYDRO-3H-PYRAZOL-3-ONE DERIVATIVES AS SPECIFIC HIF-PROLYL-4-HYDROXYLASE INHIBITORS FOR TREATING CARDIOVASCULAR AND HAEMATOLOGICAL DISEASES BAYER HEALTHCARE AG (DE) 2009-02-18 EP disclosed
WO-2006114213-A1 4-(PYRIDIN-3-YL)-2-(PYRIDIN-2-YL)-1,2-DIHYDRO-3H-PYRAZOL-3-ONE DERIVATIVES AS SPECIFIC HIF-PROLYL-4-HYDROXYLASE INHIBITORS FOR TREATING CARDIOVASCULAR AND HAEMATOLOGICAL DISEASES BAYER HEALTHCARE AG (DE) 2006-11-02 WO 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-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis SOD1, AOC3, CBR3 KCNQ3 2879/4885KCNQ2 4058/4885KCNQ4 3283/4885
US-20120322772-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES PPIP5K2, THPO, DPYD KCNQ3 3026/4885KCNQ2 3149/4885KCNQ4 2504/4885
US-20100035906-A1 Dipyridyl-dihydropyrazolones and their use DPP7, DPP4, QDPR KCNQ3 3393/4885KCNQ2 3647/4885KCNQ4 3232/4885
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS SOD1, AOC3, CBR3 KCNQ3 2879/4885KCNQ2 4058/4885KCNQ4 3283/4885

“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.