SCHEMBL3977876

SCHEMBL3977876

CCOC(=O)c1cn2c(C)nnc2c(Cl)c1Nc1ccc(Br)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
THRB P10828 1/20 0.45
METTL3 Q86U44 1/20 0.42
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FTO Q9C0B1 1/20 0.38
TP53 P04637 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
SRC P12931 1/20 0.38
MAP2K1 Q02750 3/20 0.37
LMNA P02545 1/20 0.37
EGFR P00533 2/20 0.37
SMC2 O95347 1/20 0.37
CSNK2A2 P19784 1/20 0.37
MAP2K2 P36507 1/20 0.37
SMC1A Q14683 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
Q6ZSR9 Q6ZSR9 1/20 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
SCHEMBL14427551 0.89 GAA (0.42) MAPTGAATHRBMETTL3ALDH1A1
SCHEMBL3975034 0.87 MAP2K1 (0.41) GAAMETTL3ALDH1A1SMN1; SMN2FTO
SCHEMBL13842055 0.83 MAP2K1 (0.56) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL3974000 0.81 MAP2K1 (0.58) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL4544120 0.81 MAP2K1 (0.44) GAAALDH1A1SMN1; SMN2FTOMAP2K1
SCHEMBL27647132 0.79 HTT (0.35) MAPTGAATHRBALDH1A1SMN1; SMN2
SCHEMBL3971371 0.78 MAPT (0.58) MAPTGAATHRBMETTL3ALDH1A1
SCHEMBL3974727 0.77 GAA (0.37) MAPTGAATHRBALDH1A1MAP2K1
SCHEMBL3974319 0.75 SRC (0.39) MAPTGAATHRBALDH1A1SMN1; SMN2
SCHEMBL3973970 0.75 MAPT (0.55) MAPTGAATHRBMETTL3ALDH1A1

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 18 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
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-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
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.