SCHEMBL12423798

SCHEMBL12423798

COc1cc2cn[nH]c2c(Nc2ccc(I)cc2F)c1NS(=O)(=O)NCCO

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.46
MAP2K2 P36507 3/20 0.46
CHEK1 O14757 1/20 0.46
MAPK10 P53779 1/20 0.46
PRKAG1 P54619 1/20 0.46
ADCK1 Q86TW2 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.36

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
SCHEMBL12423788 0.87 MAP2K1 (0.51) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL12423799 0.84 MAP2K1 (0.51) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL12423806 0.80 MAP2K1 (0.45) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL12423796 0.71 MAP2K1 (0.44) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL13059478 0.71 MAP2K1 (0.71) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL12651606 0.70 MAP2K1 (0.38) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL2294850 0.69 MAP2K1 (0.49) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL12423792 0.68 MAP2K1 (0.62) MAP2K1MAP2K2CYP2C9CYP2C19CYP3A4
SCHEMBL391748 0.67 MAP2K1 (0.79) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL389984 0.67 MAP2K1 (0.62) 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 2 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

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.