SCHEMBL20435083

SCHEMBL20435083

CC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.85
MAP2K2 P36507 8/20 0.85
MAPK1 P28482 2/20 0.85
BRAF P15056 1/20 0.85
MAP2K5 Q13163 1/20 0.85
PIM1 P11309 1/20 0.70
CAMK2B Q13554 1/20 0.70
HDAC3 O15379 2/20 0.64
HDAC4 P56524 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64

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
SCHEMBL4859890 1.00 MAP2K1 (0.85) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL7051638 0.96 MAP2K1 (0.79) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4860675 0.93 MAP2K1 (0.80) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4853444 0.92 MAP2K1 (0.72) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4859973 0.92 MAP2K1 (0.82) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL16366052 0.92 MAP2K1 (0.82) MAP2K1MAP2K2MAPK1BRAFMAP2K5
Mirdametinib SCHEMBL29352748 0.92 MAP2K1 (1.00) MAP2K1MAP2K2MAPK1BRAFMAP2K5
Mirdametinib SCHEMBL172904 0.92 MAP2K1 (1.00) MAP2K1MAP2K2MAPK1BRAFMAP2K5
Mirdametinib SCHEMBL29358470 0.92 MAP2K1 (1.00) MAP2K1MAP2K2MAPK1BRAFMAP2K5
Mirdametinib SCHEMBL895854 0.92 MAP2K1 (1.00) MAP2K1MAP2K2MAPK1BRAFMAP2K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180214449-A1 CANCER THERAPY USING JAK INHIBITOR IN COMBINATION WITH MAPK INHIBITORS UBRX, INC. 2018-08-02 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-20180214449-A1 CANCER THERAPY USING JAK INHIBITOR IN COMBINATION WITH MAPK INHIBITORS JAK2, JAK1, JAK3 MAP2K1 57/4885MAP2K2 52/4885MAPK1 5/4885

“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.