SCHEMBL2295940

SCHEMBL2295940

C[C@H](O)CONC(=O)c1cnc2[nH]ncc2c1Nc1ccc(I)cc1F

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.64
KCNH2 Q12809 1/20 0.54
MAP2K2 P36507 4/20 0.51
BRAF P15056 1/20 0.51
MAPK1 P28482 1/20 0.51
MAP2K5 Q13163 1/20 0.51
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL2297868 0.87 MAP2K1 (0.77) MAP2K1KCNH2MAP2K2CYP3A4CYP2C9
SCHEMBL2293662 0.82 MAP2K1 (0.57) MAP2K1KCNH2MAP2K2CYP3A4CYP2C9
SCHEMBL2294791 0.81 MAP2K1 (0.63) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL2295932 0.80 MAP2K1 (0.55) MAP2K1MAP2K2CYP3A4CYP2C9CYP2C19
SCHEMBL4860341 0.79 MAP2K1 (0.58) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL4858651 0.78 MAP2K1 (0.67) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4853511 0.78 MAP2K1 (0.80) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL27496775 0.78 MAP2K1 (0.62) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL1580002 0.78 MAP2K1 (1.00) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL1580444 0.78 MAP2K1 (0.50) MAP2K1KCNH2MAP2K2BRAFMAPK1

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
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 11/4885KCNH2 3333/4885MAP2K2 4/4885

“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.