SCHEMBL4409243

SCHEMBL4409243

O=C(c1oc2ccncc2c1Nc1ccc(I)cc1F)N1CCSCC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.59
MAP2K2 P36507 15/20 0.45
PRKCZ Q05513 1/20 0.37
IARS2 Q9NSE4 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL2563618 0.95 MAP2K1 (0.58) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL2569316 0.94 MAP2K1 (0.54) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL2564952 0.92 MAP2K1 (0.62) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL2562941 0.92 MAP2K1 (0.62) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL2565239 0.90 MAP2K1 (0.60) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL2566982 0.88 MAP2K1 (0.59) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL2564740 0.88 MAP2K1 (0.59) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL2568050 0.86 MAP2K1 (0.60) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL2562876 0.86 MAP2K1 (0.60) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL2562968 0.86 MAP2K1 (0.60) MAP2K1MAP2K2PRKCZIARS2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 10/4885MAP2K2 3/4885PRKCZ 492/4885

“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.