SCHEMBL3971674

SCHEMBL3971674

CC(C)(CNC(=O)OC(C)(C)C)CON

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
CA1 P00915 6/20 0.36
CA2 P00918 6/20 0.36
CA12 O43570 5/20 0.36
CA9 Q16790 5/20 0.36
EPHX1 P07099 1/20 0.36
KDM4A O75164 1/20 0.36
LATS1 O95835 1/20 0.35
CA7 P43166 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL21065336 0.84 TDP1 (0.52) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3520746 0.83 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL861083 0.81 TDP1 (0.46) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL2623719 0.81 TDP1 (0.40) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL842921 0.80 TDP1 (0.52) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL4573154 0.79 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL25789921 0.79 TDP1 (0.41) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL571043 0.79 TDP1 (0.52) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL10049407 0.79 TDP1 (0.47) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL24180018 0.78 TDP1 (0.38) TDP1MAOAMAOBMEN1KMT2A

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
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
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 TDP1 987/4885MAOA 2419/4885MAOB 1443/4885
US-20060030610-A1 Method of treating inflammatory diseases TNF, MPO, FABP2 TDP1 2664/4885MAOA 2113/4885MAOB 1615/4885

“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.