SCHEMBL388585

SCHEMBL388585

O=C1N=Nc2cccnc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.48
NSD2 O96028 3/20 0.48
PAX8 Q06710 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ABL1 P00519 1/20 0.48
PLCG1 P19174 1/20 0.48
CES1 P23141 1/20 0.48
RIN1 Q13671 1/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.48
PTPRC P08575 2/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
PTPN13 Q12923 1/20 0.44
S100A4 P26447 6/20 0.41
CDC25B P30305 3/20 0.41
PADI1 Q9ULC6 3/20 0.38

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
Acetic Acid SCHEMBL9604110 0.89 TDP1 (0.42) TDP2NSD2PAX8TDP1ABL1
SCHEMBL300666 0.87 TDP2 (0.46) TDP2NSD2PAX8TDP1ABL1
Benzoic Acid SCHEMBL1879517 0.73 NAPRT (0.45) TDP1CES1MEN1BLMKMT2A
SCHEMBL32689420 0.73 TDP1 (0.39) TDP2NSD2PAX8TDP1ABL1
SCHEMBL32689421 0.71 TDP1 (0.38) TDP2NSD2PAX8TDP1ABL1
SCHEMBL2967094 0.70 TDP2 (0.58) TDP2NSD2PAX8TDP1ABL1
SCHEMBL31288011 0.70 TDP1 (0.37) TDP2NSD2PAX8TDP1ABL1
SCHEMBL1895059 0.70 TDP1 (0.37) TDP2NSD2PAX8TDP1ABL1
SCHEMBL10434479 0.69 TDP2 (0.47) TDP2NSD2PAX8TDP1ABL1
SCHEMBL9709207 0.68 TDP2 (0.55) TDP2NSD2PAX8TDP1ABL1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009051504-A1 BENZO- AND PYRIDOPYRIDAZINONES WITH ANALGESIC AND ANTIINFLAMMATORY ACTIVITY UNIWERSYTET LODSKI (PL) 2009-04-23 WO claimed
CN-111606928-A Azacyclodiketone compound and preparation method thereof 维清生物科技(上海)有限公司 2020-09-01 CN disclosed
CN-111217810-A Azacyclodiketone compound and preparation method thereof 维清生物科技(上海)有限公司 2020-06-02 CN disclosed
EP-2251327-B1 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2014-02-12 EP disclosed
US-8431574-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-04-30 US disclosed
US-20130018075-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2013-01-17 US disclosed
US-20120263679-A1 Combinations Comprising Heterocyclic Inhibitors of MEK and Methods of Use Thereof ARRAY BIOPHARMA INC. (US) 2012-10-18 US disclosed
US-8268852-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-09-18 US disclosed
US-8211921-B2 Heterocyclic inhibitors of MEK and methods of use ARRAY BIOPHARMA INC. (US) 2012-07-03 US disclosed
US-8211920-B2 6-oxo-1,6-dihydropyridine derivatives as inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-07-03 US disclosed
US-20090143389-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-06-04 US disclosed
US-20090131435-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2009-05-21 US disclosed
WO-2009051504-A1 BENZO- AND PYRIDOPYRIDAZINONES WITH ANALGESIC AND ANTIINFLAMMATORY ACTIVITY UNIWERSYTET LODSKI (PL) 2009-04-23 WO disclosed
US-7517994-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-04-14 US disclosed
US-20070112038-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2007-05-17 US disclosed
EP-1682138-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-01-24 EP disclosed
EP-1682138-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-07-26 EP disclosed
US-20050256123-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-11-17 US disclosed
US-20050250782-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-11-10 US disclosed
WO-2005051301-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 (7 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-20070112038-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 TDP2 1679/4885NSD2 1547/4885PAX8 3899/4885
US-20090131435-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE NRAS, BRAF, MAPK9 TDP2 1736/4885NSD2 1321/4885PAX8 3974/4885
US-20090143389-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, MAPK9 TDP2 1826/4885NSD2 1718/4885PAX8 4267/4885
US-20050250782-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 TDP2 1828/4885NSD2 1993/4885PAX8 4010/4885
US-20130018075-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, RAF1 TDP2 1504/4885NSD2 1201/4885PAX8 4203/4885
US-20120263679-A1 Combinations Comprising Heterocyclic Inhibitors of MEK and Methods of Use Thereof NRAS, BRAF, CDK9 TDP2 1890/4885NSD2 977/4885PAX8 3566/4885
US-20050256123-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 TDP2 1814/4885NSD2 1864/4885PAX8 3693/4885

“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.