SCHEMBL2295064

SCHEMBL2295064

O=S(=O)(Nc1ccc2[nH]ncc2c1Nc1ccc(I)cc1F)C1CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 10/20 0.57
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
KIT P10721 1/20 0.38
MAP2K4 P45985 1/20 0.36
PTK6 Q13882 2/20 0.36
MAP2K2 P36507 3/20 0.35
BRAF P15056 1/20 0.35
SGK1 O00141 1/20 0.35
IDO1 P14902 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
SCHEMBL2294850 0.85 MAP2K1 (0.49) MAP2K1JAK2JAK1TYK2JAK3
SCHEMBL12423782 0.80 MAP2K1 (0.57) MAP2K1MAP2K2
SCHEMBL391574 0.79 MAP2K1 (0.53) MAP2K1MAP2K2BRAF
SCHEMBL16103842 0.77 MAP2K1 (0.60) MAP2K1MAP2K2IDO1
SCHEMBL16070018 0.77 MAP2K1 (0.60) MAP2K1MAP2K2IDO1
SCHEMBL13522214 0.76 MAP2K1 (0.60) MAP2K1MAP2K2IDO1
SCHEMBL1579837 0.75 MAP2K1 (0.70) MAP2K1MAP2K2IDO1
SCHEMBL387833 0.75 MAP2K1 (0.51) MAP2K1MAP2K2BRAF
SCHEMBL391025 0.74 MAP2K1 (0.47) MAP2K1MAP2K2BRAF
SCHEMBL10251094 0.74 MAP2K1 (0.48) MAP2K1MAP2K2BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENETECH, INC. (US) 2011-08-04 US claimed
US-8841462-B2 Bicyclic heterocycles as MEK kinase inhibitors GENENTECH, INC. 2014-09-23 US disclosed
US-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENETECH, INC. (US) 2011-08-04 US disclosed
US-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENETECH, INC. (US) 2011-08-04 US disclosed
WO-2010003025-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENENTECH, INC. (US) 2010-01-07 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-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS MAP2K7, MAP3K1, MAP3K5 MAP2K1 11/4885JAK2 158/4885JAK1 196/4885

“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.