SCHEMBL4327409

SCHEMBL4327409

Cc1c2nc(C(=O)O)c(Nc3ccc(Br)cc3F)c(F)c2nn1C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.50
L3MBTL1 Q9Y468 1/20 0.44
MAP2K2 P36507 2/20 0.42
ABCB11 O95342 1/20 0.42
NQO2 P16083 1/20 0.42
NMT1 P30419 1/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL4337754 0.90 L3MBTL1 (0.45) MAP2K1L3MBTL1MAP2K2ABCB11NQO2
SCHEMBL4321814 0.89 MAP2K1 (0.49) MAP2K1L3MBTL1MAP2K2ABCB11NQO2
SCHEMBL4326005 0.81 MAP2K1 (0.59) MAP2K1MAP2K2ABCB11NQO2KMT2A
SCHEMBL4334335 0.79 MAP2K1 (0.53) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL4324520 0.79 MAP2K1 (0.46) MAP2K1L3MBTL1MAP2K2ABCB11NQO2
SCHEMBL1344228 0.77 MAP2K1 (0.45) MAP2K1L3MBTL1MAP2K2ABCB11NQO2
SCHEMBL3047450 0.77 MAP2K1 (0.57) MAP2K1L3MBTL1MAP2K2KMT2A
SCHEMBL4332409 0.75 MAP2K1 (0.37) MAP2K1L3MBTL1MAP2K2ABCB11NQO2
SCHEMBL29413374 0.74 MAP2K1 (0.55) MAP2K1L3MBTL1MAP2K2TP53MAPT
SCHEMBL1488056 0.74 MAP2K1 (0.55) MAP2K1L3MBTL1MAP2K2TP53MAPT

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 MAP2K1 77/4885L3MBTL1 1588/4885MAP2K2 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.