SCHEMBL1992065

SCHEMBL1992065

CC(NC(=O)OC(C)(C)C)c1nc2cccnc2c(C(=O)O)c1-c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
SCN9A Q15858 7/20 0.38
CYP3A4 P08684 3/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
DHODH Q02127 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CD O00329 3/20 0.37
PIK3CA P42336 3/20 0.37
PIK3CB P42338 3/20 0.37
PIK3CG P48736 3/20 0.37
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
SCN10A Q9Y5Y9 3/20 0.36
AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL1989302 0.91 KDM4E (0.39) KDM4ESCN9ACYP3A4HTTALDH1A1
SCHEMBL1990422 0.90 PIK3CD (0.43) KDM4ESCN9ACYP3A4HTTALDH1A1
SCHEMBL9958921 0.84 DHODH (0.40) KDM4ESCN9ACYP3A4ALDH1A1DHODH
SCHEMBL3786690 0.83 PIK3CD (0.50) CYP3A4DHODHPIK3CDPIK3CAPIK3CB
SCHEMBL2717170 0.83 PIK3CD (0.50) CYP3A4DHODHPIK3CDPIK3CAPIK3CB
SCHEMBL1995280 0.83 CYP3A4 (0.39) KDM4ESCN9ACYP3A4HTTALDH1A1
SCHEMBL20061355 0.79 SCN9A (0.40) KDM4ESCN9ACYP3A4HTTALDH1A1
SCHEMBL3775682 0.79 SCN9A (0.40) KDM4ESCN9ACYP3A4HTTALDH1A1
SCHEMBL6122982 0.78 PIK3CD (0.49) CYP3A4DHODHPIK3CDPIK3CAPIK3CB
SCHEMBL8475288 0.78 PIK3CD (0.52) KDM4ESCN9ACYP3A4ALDH1A1GAA

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 8 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
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US 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

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 1806/4885SCN9A 2216/4885CYP3A4 3267/4885

“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.