SCHEMBL2294890

SCHEMBL2294890

CSc1ccc(Nc2c(C(=O)NOC[C@H]3COC(C)(C)O3)ccc3cnsc23)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPK14 Q16539 2/20 0.35
MAP2K2 P36507 2/20 0.34
RAF1 P04049 1/20 0.34
PDGFRB P09619 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
AURKC Q9UQB9 1/20 0.34
CAMK2A Q9UQM7 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PIM1 P11309 1/20 0.34
CAMK2B Q13554 1/20 0.34
MAPK1 P28482 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
SCHEMBL1580597 0.90 MAP2K1 (0.67) MAP2K1CYP3A4CYP2C9CYP2C19MAP2K2
SCHEMBL1580698 0.90 MAP2K1 (0.54) MAP2K1CYP3A4CYP2C9CYP2C19MAP2K2
SCHEMBL12423797 0.82 MAP2K1 (0.76) MAP2K1CYP3A4CYP2C9CYP2C19MAP2K2
SCHEMBL2299123 0.81 MAP2K1 (0.78) MAP2K1CYP3A4CYP2C9CYP2C19MAP2K2
SCHEMBL1579826 0.79 MAP2K1 (0.54) MAP2K1CYP3A4CYP2C9CYP2C19MAP2K2
SCHEMBL1578559 0.77 MAP2K1 (0.51) MAP2K1CYP3A4CYP2C9CYP2C19MAP2K2
SCHEMBL1977780 0.75 KCNH2 (0.41) MAP2K1CYP2C9MAPK14MAP2K2
SCHEMBL4852779 0.74 MAP2K1 (0.62) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL30584462 0.74 MAP2K1 (0.62) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4851889 0.74 MAP2K1 (0.62) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2

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 11/4885CYP3A4 2898/4885CYP2C9 2474/4885

“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.