SCHEMBL3971371

SCHEMBL3971371

CCOC(=O)c1cnc(Cl)c(Cl)c1Nc1ccc(Br)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
GAA P10253 2/20 0.58
THRB P10828 2/20 0.58
MAP2K1 Q02750 2/20 0.52
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.49
SRC P12931 1/20 0.49
RXFP1 Q9HBX9 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
AURKB Q96GD4 2/20 0.45
AURKA O14965 1/20 0.45
METTL3 Q86U44 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42

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) MAPTGAATHRBMAP2K1MAPK1
SCHEMBL3973970 0.89 MAPT (0.55) MAPTGAATHRBMAP2K1TP53
SCHEMBL3978573 0.85 MAP2K1 (0.49) MAPTGAATHRBMAP2K1TP53
SCHEMBL3973261 0.83 MAPT (0.51) MAPTGAATHRBMAP2K1TP53
SCHEMBL1342083 0.83 MAP2K1 (0.53) MAP2K1MAPK1SRCALDH1A1SMN1; SMN2
SCHEMBL17135148 0.80 TP53 (0.55) MAPTGAATHRBMAP2K1TP53
SCHEMBL13842076 0.78 KMT2A (0.43) MAPTGAATHRBMAP2K1MAPK1
SCHEMBL1342838 0.78 MAP2K1 (0.46) MAPTGAATHRBMAP2K1MAPK1
SCHEMBL13842023 0.78 MAP2K1 (0.47) MAPTGAATHRBMAP2K1MAPK1
SCHEMBL3977876 0.78 MAPT (0.45) MAPTGAATHRBMAP2K1TP53

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 21 patents — showing the first 20. 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
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
EP-1673339-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2009-04-29 EP disclosed
US-7511058-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-03-31 US disclosed
US-7511058-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-03-31 US disclosed
US-7271178-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-09-18 US disclosed
US-7271178-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-09-18 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
CN-1874769-A Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC (US) 2006-12-06 CN disclosed
US-7144907-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2006-12-05 US disclosed
US-20060189649-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2006-08-24 US disclosed
US-20060189808-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2006-08-24 US disclosed
US-20060189668-A1 Method of treating hyperproliferative disorders using heterocyclic inhibitors of MEK ARRAY BIOPHARMA INC. (US) 2006-08-24 US 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
US-20050049419-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. 2005-03-03 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 (6 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-20060189649-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAPT 4845/4885GAA 3172/4885THRB 1683/4885
US-20050049419-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAPT 4838/4885GAA 3119/4885THRB 1840/4885
US-20060189808-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAPT 4852/4885GAA 3342/4885THRB 1844/4885
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAPT 4838/4885GAA 3119/4885THRB 1840/4885
US-20060030610-A1 Method of treating inflammatory diseases TNF, MPO, FABP2 MAPT 2661/4885GAA 444/4885THRB 3149/4885
US-20060189668-A1 Method of treating hyperproliferative disorders using heterocyclic inhibitors of MEK NRAS, BRAF, RAF1 MAPT 4742/4885GAA 3011/4885THRB 2003/4885

“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.