SCHEMBL2564378

SCHEMBL2564378

CCOC(=O)c1oc2ncncc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 8/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA1 P30542 1/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 3/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
HSD17B10 Q99714 2/20 0.33
RAB9A P51151 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL842839 0.83 KDM4E (0.39) HDAC4HDAC6KDM4EALDH1A1HPGD
SCHEMBL12164455 0.81 CYP2C9 (0.33) HDAC4HDAC6KDM4EALDH1A1HPGD
SCHEMBL2562491 0.80 HIF1A (0.44) KDM4EALDH1A1HPGDSMN1; SMN2HIF1A
SCHEMBL2565160 0.80 ADORA1 (0.36) HDAC4HDAC6KDM4EALDH1A1HPGD
SCHEMBL2567820 0.80 CYP2C9 (0.34) HDAC4HDAC6KDM4EALDH1A1HPGD
SCHEMBL160754 0.78 BRAF (0.48) HDAC4HDAC6KDM4EALDH1A1HPGD
SCHEMBL2565326 0.76 KDM4E (0.39) KDM4EALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL2564950 0.74 L3MBTL1 (0.38) KDM4EALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL2562507 0.72 KDM4E (0.32) HDAC4HDAC6KDM4EALDH1A1CYP2C9
SCHEMBL2565286 0.71 KDM4E (0.41) HDAC4HDAC6KDM4ESMN1; SMN2ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069354-B1 Aza-benzofuranyl compounds and methods of use GENENTECH INC (US) 2011-11-02 EP disclosed
EP-2069354-B1 Aza-benzofuranyl compounds and methods of use GENENTECH INC (US) 2011-11-02 EP disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
WO-2008024725-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 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 (1 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-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 HDAC4 881/4885HDAC6 993/4885KDM4E 1257/4885

“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.