SCHEMBL2562847

SCHEMBL2562847

O=C(c1oc2ccncc2c1Nc1cc(F)c(-c2cn[nH]c2)cc1F)N1CC[C@@H](O)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.39
ROCK2 O75116 9/20 0.38
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
JAK1 P23458 3/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
TYK2 P29597 1/20 0.33
PTK6 Q13882 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
SCHEMBL2566895 0.84 MAP2K1 (0.41) MAP2K1ROCK2ALOX5APFEN1PDGFRB
SCHEMBL2565582 0.84 MAP2K1 (0.41) MAP2K1ROCK2ALOX5APFEN1PDGFRB
SCHEMBL12164683 0.84 MAP2K1 (0.41) MAP2K1ROCK2ALOX5APFEN1PDGFRB
SCHEMBL2562879 0.81 MAP2K1 (0.45) MAP2K1
SCHEMBL2566229 0.81 MAP2K1 (0.57) MAP2K1
SCHEMBL2566698 0.81 MAP2K1 (0.45) MAP2K1
SCHEMBL2566231 0.81 MAP2K1 (0.57) MAP2K1
SCHEMBL2569598 0.81 MAP2K1 (0.57) MAP2K1
SCHEMBL2566350 0.76 MAP2K1 (0.55) MAP2K1ALOX5APFEN1
SCHEMBL2566353 0.76 MAP2K1 (0.55) MAP2K1ALOX5APFEN1

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 7 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
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 10/4885ROCK2 169/4885ALOX5AP 1136/4885

“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.