SCHEMBL3978573

SCHEMBL3978573

CC(C)(C)OC(=O)c1cnc(Cl)c(Cl)c1Nc1ccc(Br)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.49
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
SRC P12931 2/20 0.39
AAK1 Q2M2I8 2/20 0.38
SMC2 O95347 1/20 0.38
EGFR P00533 1/20 0.38
CSNK2A2 P19784 1/20 0.38
MAP2K2 P36507 1/20 0.38
SMC1A Q14683 1/20 0.38
Q6ZSR9 Q6ZSR9 1/20 0.38
BMP2K Q9NSY1 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL1341369 0.89 MAP2K1 (0.53) MAP2K1MAPTGAATHRBKMT2A
SCHEMBL3972765 0.86 MAPT (0.41) MAP2K1MAPTGAATHRBKMT2A
SCHEMBL3971371 0.85 MAPT (0.58) MAP2K1MAPTGAATHRBSRC
SCHEMBL3979023 0.84 AAK1 (0.41) MAP2K1MAPTGAATHRBKMT2A
SCHEMBL3968855 0.83 GAA (0.46) MAP2K1MAPTGAATHRBKMT2A
SCHEMBL3974056 0.83 MAP2K1 (0.45) MAP2K1MAPTGAATHRBKMT2A
SCHEMBL1342083 0.83 MAP2K1 (0.53) MAP2K1KMT2AMEN1CTDSP1SRC
SCHEMBL3971960 0.83 KMT2A (0.39) MAP2K1MAPTGAATHRBKMT2A
SCHEMBL3973261 0.79 MAPT (0.51) MAP2K1MAPTGAATHRBKMT2A
SCHEMBL1342838 0.78 MAP2K1 (0.46) MAP2K1MAPTGAATHRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673339-B1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2013-07-03 EP disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
EP-1673339-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2009-04-29 EP disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
WO-2007022529-A2 METHOD OF TREATING INFLAMMATORY DISEASES ARRAY BIOPHARMA INC. (US) 2007-02-22 WO disclosed
WO-2007022529-A2 METHOD OF TREATING INFLAMMATORY DISEASES ARRAY BIOPHARMA INC. (US) 2007-02-22 WO disclosed
EP-1673339-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-06-28 EP disclosed
US-20060030610-A1 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. 2006-02-09 US disclosed
WO-2005023759-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-03-17 WO disclosed
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-03-10 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 (2 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-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 92/4885MAPT 4838/4885GAA 3119/4885
US-20060030610-A1 Method of treating inflammatory diseases TNF, MPO, FABP2 MAP2K1 4674/4885MAPT 2661/4885GAA 444/4885

“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.