SCHEMBL2563035

SCHEMBL2563035

O=C(O)c1oc2ccncc2c1Nc1ccc(Br)cc1F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 9/20 0.56
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
IDO1 P14902 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39
TDO2 P48775 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2566005 0.87 MAP2K1 (0.72) MAP2K1IDO1
SCHEMBL4989997 0.85 MAP2K1 (0.59) MAP2K1ALDH1A1HPGDNPC1RAB9A
SCHEMBL2567659 0.85 MAP2K1 (0.53) MAP2K1ALDH1A1TSHRRXFP1LMNA
SCHEMBL2565661 0.84 MAP2K1 (0.80) MAP2K1
SCHEMBL5010174 0.84 MAP2K1 (0.56) MAP2K1ALDH1A1HPGDTSHRLMNA
SCHEMBL4979784 0.84 MAP2K1 (0.54) MAP2K1IDO1TDO2
SCHEMBL4986447 0.84 MAP2K1 (0.54) MAP2K1IDO1TDO2
SCHEMBL4417403 0.82 MAP2K1 (0.56) MAP2K1ALDH1A1HPGDIDO1TDO2
SCHEMBL12164622 0.81 MAP2K1 (0.72) MAP2K1
SCHEMBL2562879 0.80 MAP2K1 (0.45) MAP2K1GAANPC1RAB9A

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 4 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-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
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 10/4885GAA 3106/4885ALDH1A1 1140/4885

“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.