SCHEMBL4337754

SCHEMBL4337754

COC(=O)c1nc2c(C)n(C)nc2c(F)c1Nc1ccc(Br)cc1F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
MAP2K1 Q02750 16/20 0.45
MAP2K2 P36507 2/20 0.45
ABCB11 O95342 1/20 0.45
NQO2 P16083 1/20 0.45
NMT1 P30419 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4327409 0.90 MAP2K1 (0.50) L3MBTL1MAP2K1MAP2K2ABCB11NQO2
SCHEMBL4324520 0.89 MAP2K1 (0.46) L3MBTL1MAP2K1MAP2K2ABCB11NQO2
SCHEMBL4340818 0.85 RAB9A (0.39) TP53MAPTMEN1KMT2A
SCHEMBL4326005 0.81 MAP2K1 (0.59) MAP2K1MAP2K2ABCB11NQO2MEN1
SCHEMBL4326016 0.80 MAP2K1 (0.55) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL4321814 0.79 MAP2K1 (0.49) L3MBTL1MAP2K1MAP2K2ABCB11NQO2
SCHEMBL4344176 0.78 MAP2K1 (0.41) L3MBTL1MAP2K1MAP2K2ABCB11NQO2
SCHEMBL392096 0.76 MAP2K1 (0.51) L3MBTL1MAP2K1MAP2K2
SCHEMBL4330906 0.75 MAP2K1 (0.42) L3MBTL1MAP2K1MAP2K2ABCB11NQO2
SCHEMBL13750471 0.74 MAP2K1 (0.60) MAP2K1MAP2K2ABCB11NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576072-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-08-18 US disclosed
EP-1689406-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-01-17 EP disclosed
EP-1689406-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-08-16 EP disclosed
US-20050153942-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-07-14 US disclosed
WO-2005051906-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 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-20050153942-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 L3MBTL1 1588/4885MAP2K1 77/4885MAP2K2 63/4885

“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.