SCHEMBL12423788

SCHEMBL12423788

COc1cc2[nH]ncc2c(Nc2ccc(I)cc2F)c1NS(=O)(=O)NCCO

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.51
MAP2K2 P36507 3/20 0.45
CHEK1 O14757 1/20 0.45
MAPK10 P53779 1/20 0.45
PRKAG1 P54619 1/20 0.45
ADCK1 Q86TW2 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
METAP2 P50579 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
FLT1 P17948 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
SCHEMBL12423798 0.87 MAP2K1 (0.46) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL12423806 0.83 MAP2K1 (0.45) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL2294850 0.82 MAP2K1 (0.49) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL12423799 0.80 MAP2K1 (0.51) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL16103816 0.78 MAP2K1 (0.53) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL3265187 0.77 MAP2K1 (0.55) MAP2K1MAP2K2METAP2FLT1
SCHEMBL3265182 0.77 MAP2K1 (0.61) MAP2K1MAP2K2
SCHEMBL13522225 0.76 MAP2K1 (0.52) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL1578880 0.75 MAP2K1 (0.51) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL12423782 0.71 MAP2K1 (0.57) MAP2K1MAP2K2CHEK1MAPK10PRKAG1

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
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
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 11/4885MAP2K2 4/4885CHEK1 166/4885

“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.