SCHEMBL2565286

SCHEMBL2565286

CCOC(=O)c1oc2ccnc(Cl)c2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ADORA1 P30542 1/20 0.37
HIF1A Q16665 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
AHR P35869 1/20 0.36
HSD17B10 Q99714 1/20 0.35
NMT2 O60551 3/20 0.35
NMT1 P30419 3/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
PLK1 P53350 1/20 0.34

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
SCHEMBL2562491 0.80 HIF1A (0.44) KDM4ERAB9AMAPTNPC1SMN1; SMN2
SCHEMBL160754 0.77 BRAF (0.48) KDM4ERAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2565382 0.77 RAB9A (0.49) KDM4ERAB9AMAPTNPC1SMN1; SMN2
SCHEMBL842839 0.75 KDM4E (0.39) KDM4ERAB9AMAPTNPC1SMN1; SMN2
SCHEMBL3602038 0.71 NPC1 (0.63) KDM4ERAB9AMAPTNPC1L3MBTL1
SCHEMBL2564378 0.71 HDAC4 (0.36) KDM4ERAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2564931 0.70 HIF1A (0.42) KDM4EMAPTSMN1; SMN2HIF1AL3MBTL1
SCHEMBL3975032 0.69 HDAC4 (0.40) KDM4ERAB9AMAPTNPC1SMN1; SMN2
SCHEMBL18001968 0.69 KDM4E (0.50) KDM4ERAB9AMAPTNPC1HIF1A
SCHEMBL2565160 0.69 ADORA1 (0.36) KDM4ERAB9AMAPTNPC1SMN1; 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 8 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
EP-2069354-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-06-17 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
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 KDM4E 1257/4885RAB9A 2372/4885MAPT 4315/4885

“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.