SCHEMBL4333523

SCHEMBL4333523

Cc1noc2c(F)c(Nc3ccc(Br)cc3F)c(-c3nnc(N)o3)nc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 11/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
DGAT1 O75907 1/20 0.33
MAPK1 P28482 1/20 0.32
ABCB11 O95342 1/20 0.31
NQO2 P16083 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAPK14 Q16539 1/20 0.30

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
SCHEMBL4332409 0.80 MAP2K1 (0.37) MAP2K1TP53MAPTDGAT1MAPK1
SCHEMBL4324504 0.77 MAP2K1 (0.44) MAP2K1MAPK1ABCB11NQO2MAP2K2
SCHEMBL1344228 0.75 MAP2K1 (0.45) MAP2K1TP53MAPTABCB11NQO2
SCHEMBL4344176 0.74 MAP2K1 (0.41) MAP2K1TP53MAPTABCB11NQO2
SCHEMBL6205792 0.72 MAP2K1 (0.43) MAP2K1TP53MAPTDGAT1MAP2K2
SCHEMBL4336107 0.72 DGAT1 (0.37) MAP2K1TP53MAPTDGAT1MAPK1
SCHEMBL1341935 0.70 BRD4 (0.34) MAP2K1TP53MAPT
SCHEMBL4335977 0.69 MAP2K1 (0.55) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL391367 0.68 MAP2K1 (0.59) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL4332566 0.67 MAP2K1 (0.43) MAP2K1ABCB11NQO2MAP2K2

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 7 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
US-7576072-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-08-18 US disclosed
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 77/4885TP53 213/4885MAPT 4825/4885

“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.