SCHEMBL2052824

SCHEMBL2052824

Cc1c(Cl)c(C(=O)O)c2n(c1=O)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 2/20 0.42
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE3B Q13370 4/20 0.36
PDE3A Q14432 4/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCL1 Q07820 1/20 0.34
MAP2K1 Q02750 2/20 0.34
CNR1 P21554 1/20 0.33

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
SCHEMBL697251 0.85 KMT2A (0.43) KDM4EMAPK1KMT2AALDH1A1TDP1
SCHEMBL13857265 0.85 KDM4E (0.50) KDM4EMAPK1KMT2AALDH1A1TDP1
SCHEMBL9233695 0.83 KDM4E (0.48) KDM4EMAPK1KMT2AALDH1A1TDP1
SCHEMBL2049935 0.81 PDE3B (0.50) KDM4EMAPK1KMT2AALDH1A1PDE3B
SCHEMBL693265 0.81 KMT2A (0.47) KDM4EMAPK1KMT2AALDH1A1PDE3B
SCHEMBL2434348 0.77 KMT2A (0.43) KDM4EMAPK1KMT2AALDH1A1MAP2K1
SCHEMBL21378233 0.77 KMT2A (0.44) KDM4EMAPK1KMT2AALDH1A1TDP1
SCHEMBL693438 0.71 KMT2A (0.46) KDM4EMAPK1KMT2AALDH1A1TDP1
SCHEMBL696571 0.71 MAPK1 (0.51) KDM4EMAPK1KMT2AALDH1A1POLB
SCHEMBL13857264 0.70 MAPK1 (0.53) KDM4EMAPK1KMT2AALDH1A1PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022057-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-20 US claimed
EP-2227469-B9 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-09-10 EP disclosed
EP-2227469-B1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-01-08 EP disclosed
US-8022057-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-20 US disclosed
US-8022057-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-20 US disclosed
US-8022057-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-20 US disclosed
WO-2011067356-A2 POLYMORPHS OF A MEK INHIBITOR NOVARTIS AG (CH) 2011-06-09 WO disclosed
WO-2011067348-A2 MEK INHIBITOR SALTS AND SOLVATES THEREOF NOVARTIS AG (CH) 2011-06-09 WO disclosed
WO-2011067348-A2 MEK INHIBITOR SALTS AND SOLVATES THEREOF NOVARTIS AG (CH) 2011-06-09 WO disclosed
WO-2011067356-A2 POLYMORPHS OF A MEK INHIBITOR NOVARTIS AG (CH) 2011-06-09 WO disclosed
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 WO disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US disclosed
WO-2009064675-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-22 WO disclosed
US-20090124595-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-14 US disclosed
US-20090124595-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-14 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-20090124595-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 KDM4E 2363/4885MAPK1 1/4885KMT2A 2404/4885
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NRAS, BRAF, MAP3K1 KDM4E 973/4885MAPK1 5/4885KMT2A 1364/4885

“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.