SCHEMBL10061998

SCHEMBL10061998

CC(C)(C)Cc1nc2ccccc2c2nc3ccccc3n12

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.71
HPGD P15428 6/20 0.71
ALDH1A1 P00352 6/20 0.71
KMT2A Q03164 4/20 0.71
MAPT P10636 3/20 0.71
MEN1 O00255 3/20 0.71
LMNA P02545 2/20 0.59
TP53 P04637 2/20 0.59
POLB P06746 2/20 0.59
HSD17B10 Q99714 2/20 0.59
GAA P10253 2/20 0.55
HIF1A Q16665 1/20 0.55
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HTR2C P28335 1/20 0.41

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
SCHEMBL12070884 0.87 KDM4E (0.70) KDM4EHPGDALDH1A1KMT2AMAPT
SCHEMBL12072229 0.86 KDM4E (0.72) KDM4EHPGDALDH1A1KMT2AMAPT
SCHEMBL12072902 0.85 KDM4E (0.67) KDM4EHPGDALDH1A1KMT2AMAPT
SCHEMBL12072144 0.85 KDM4E (0.52) KDM4EHPGDALDH1A1KMT2AMAPT
SCHEMBL18022803 0.83 KDM4E (1.00) KDM4EHPGDALDH1A1KMT2AMAPT
SCHEMBL28574640 0.81 KDM4E (0.78) KDM4EHPGDALDH1A1KMT2AMAPT
SCHEMBL14825491 0.81 KDM4E (0.73) KDM4EHPGDALDH1A1KMT2AMAPT
SCHEMBL31611516 0.80 KDM4E (0.72) KDM4EHPGDALDH1A1KMT2AMAPT
SCHEMBL10512800 0.79 KDM4E (0.71) KDM4EHPGDALDH1A1KMT2AMAPT
SCHEMBL12072249 0.79 KDM4E (0.70) KDM4EHPGDALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382253-B2 Metal complexes MERCK PATENT GMBH (DE) 2016-07-05 US disclosed
US-9382253-B2 Metal complexes MERCK PATENT GMBH (DE) 2016-07-05 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-20130112921-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-05-09 US disclosed
US-20130112921-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-05-09 US disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
WO-2012007087-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-01-19 WO disclosed
WO-2011157339-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-12-22 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 (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-20130082209-A1 METAL COMPLEXES MCOLN2, MCOLN1, AP1M1 KDM4E 4129/4885HPGD 3092/4885ALDH1A1 2790/4885
US-20130112921-A1 METAL COMPLEXES MCOLN2, MCOLN1, NCLN KDM4E 3819/4885HPGD 3162/4885ALDH1A1 3236/4885

“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.