SCHEMBL1989302

SCHEMBL1989302

CC(NC(=O)OC(C)(C)C)c1nc2cccnc2c(C(=O)O)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
LIPG Q9Y5X9 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
SCN9A Q15858 5/20 0.38
CYP3A4 P08684 3/20 0.38
DHODH Q02127 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL1995280 0.91 CYP3A4 (0.39) KDM4ELIPGALDH1A1HTTHPGD
SCHEMBL1992065 0.91 KDM4E (0.39) KDM4EALDH1A1HTTHPGDSCN9A
SCHEMBL2719664 0.86 LMNA (0.48) LIPGDHODHMEN1NPC1GAA
SCHEMBL9958800 0.84 DHODH (0.46) LIPGALDH1A1SCN9ACYP3A4DHODH
SCHEMBL1990422 0.82 PIK3CD (0.43) KDM4EALDH1A1HTTHPGDSCN9A
SCHEMBL3775458 0.80 MEN1 (0.44) LIPGCYP3A4MEN1NPC1GAA
SCHEMBL3784892 0.79 PIK3CD (0.51) CYP3A4DHODHFABP3FABP4FABP5
SCHEMBL2719205 0.79 PIK3CD (0.51) CYP3A4DHODHFABP3FABP4FABP5
SCHEMBL9952525 0.78 DHODH (0.39) LIPGALDH1A1SCN9ACYP3A4DHODH
SCHEMBL2717033 0.77 CTSK (0.39) LIPGALDH1A1HTTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
EP-2513109-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2012-10-24 EP disclosed
WO-2011075628-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 WO disclosed
WO-2011075628-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 WO disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 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-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 KDM4E 1806/4885LIPG 1868/4885ALDH1A1 3905/4885

“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.