SCHEMBL16445331

SCHEMBL16445331

CC(C)(C)N(C(=O)O)C1CCC(Nc2ccc(C#N)cc2N)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 2/20 0.37
IRAK4 Q9NWZ3 9/20 0.37
GPR119 Q8TDV5 1/20 0.35
CCNK O75909 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
TNF P01375 1/20 0.34
GCGR P47871 1/20 0.34

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
SCHEMBL16445330 1.00 KDM4E (0.39) KDM4EALDH1A1GAAALOX15IRAK4
SCHEMBL16444776 0.83 HCAR3 (0.51)
SCHEMBL16989761 0.83 HCAR3 (0.51)
SCHEMBL16444775 0.83 HCAR3 (0.51)
SCHEMBL16989779 0.83 ALOX15 (0.39) KDM4EALDH1A1ALOX15IRAK4
SCHEMBL16989777 0.83 ALOX15 (0.39) KDM4EALDH1A1ALOX15IRAK4
SCHEMBL16989781 0.80 KDM4E (0.49) KDM4EGAAALOX15
SCHEMBL16989782 0.80 KDM4E (0.49) KDM4EGAAALOX15
SCHEMBL8250121 0.79 KDM4E (0.53) KDM4EALDH1A1GAAALOX15IRAK4
SCHEMBL16444870 0.79 KDM4E (0.46) KDM4EALDH1A1GAAALOX15IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 US disclosed
US-9340549-B2 Oxazolidinone compounds and derivatives thereof AMGEN INC. (US) 2016-05-17 US disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 US disclosed
US-20150045368-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN INC. 2015-02-12 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-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof TNKS, TPI1, TNKS1BP1 KDM4E 603/4885ALDH1A1 1715/4885GAA 249/4885
US-20150045368-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF TNKS1BP1, TNKS, TBKBP1 KDM4E 1142/4885ALDH1A1 1646/4885GAA 264/4885

“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.