SCHEMBL2562879

SCHEMBL2562879

O=C(c1oc2ccncc2c1Nc1ccc(Br)cc1F)N1CC[C@@H](O)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 6/20 0.45
THRB P10828 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
PDE10A Q9Y233 1/20 0.36
MAP2K2 P36507 1/20 0.36
GAA P10253 1/20 0.36
CASP6 P55212 1/20 0.36
VNN1 O95497 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL2566698 1.00 MAP2K1 (0.45) MAP2K1THRBRAB9ANPC1PDE10A
SCHEMBL2566231 0.90 MAP2K1 (0.57) MAP2K1RAB9APDE10AMAP2K2VNN1
SCHEMBL2565582 0.90 MAP2K1 (0.41) MAP2K1RAB9ANPC1PDE10AMAP2K2
SCHEMBL2566895 0.90 MAP2K1 (0.41) MAP2K1RAB9ANPC1PDE10AMAP2K2
SCHEMBL2569598 0.90 MAP2K1 (0.57) MAP2K1RAB9APDE10AMAP2K2VNN1
SCHEMBL2566229 0.90 MAP2K1 (0.57) MAP2K1RAB9APDE10AMAP2K2VNN1
SCHEMBL12164683 0.86 MAP2K1 (0.41) MAP2K1RAB9APDE10AMAP2K2VNN1
SCHEMBL2565796 0.85 MAP2K1 (0.55) MAP2K1MAP2K2VNN1
SCHEMBL2566350 0.85 MAP2K1 (0.55) MAP2K1MAP2K2VNN1
SCHEMBL2566353 0.85 MAP2K1 (0.55) MAP2K1MAP2K2VNN1

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 claimed
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 MAP2K1 10/4885THRB 2110/4885RAB9A 2372/4885

“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.