SCHEMBL2434012

SCHEMBL2434012

COC(=O)c1c(O)cc(=O)n2c1CCC2

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.89
MAPK1 P28482 2/20 0.59
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 2/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LDHA P00338 1/20 0.47
GAA P10253 3/20 0.45
BRD4 O60885 1/20 0.44
CYP3A4 P08684 2/20 0.41
ACHE P22303 1/20 0.41
ALOX15 P16050 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL2432352 0.95 ALDH1A1 (0.97) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL711780 0.84 ALDH1A1 (0.65) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL2428897 0.84 ALDH1A1 (0.64) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL13613772 0.83 ALDH1A1 (0.62) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL2431326 0.79 ALDH1A1 (0.71) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL29200214 0.76 ALDH1A1 (0.55) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL9536389 0.74 ALDH1A1 (0.63) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL10338831 0.72 ALDH1A1 (0.65) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL21378308 0.71 MAPK1 (0.60) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL31486799 0.71 KMT2A (0.61) ALDH1A1MAPK1KMT2AMEN1LMNA

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 12 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
EP-2227469-A1 MAPK/ERK KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-09-15 EP disclosed
WO-2009064675-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-22 WO 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
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 (1 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 ALDH1A1 1559/4885MAPK1 1/4885KMT2A 2404/4885

“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.