SCHEMBL4875239

SCHEMBL4875239

CC(C)(C)OC(=O)N1CCCC2CN(c3nc(N)nc4c3CCOc3cc(C#N)ccc3-4)CC21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.38
RBBP4 Q09028 1/20 0.38
SUZ12 Q15022 1/20 0.38
EZH2 Q15910 1/20 0.38
AEBP2 Q6ZN18 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
RET P07949 1/20 0.37
PIK3CA P42336 10/20 0.36
PIK3R1 P27986 9/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
JAK3 P52333 1/20 0.34
UCHL1 P09936 2/20 0.33
MTOR P42345 1/20 0.33
USP30 Q70CQ3 1/20 0.33
AR P10275 1/20 0.32

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
SCHEMBL4877858 0.87 UCHL1 (0.37) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL4873785 0.79 HRH4 (0.54) PIK3CAPIK3R1NR1H2NR1H3UCHL1
SCHEMBL4876826 0.78 HRH4 (0.37) JAK3
SCHEMBL4877386 0.77 HRH4 (0.52) RETPIK3CAPIK3R1NR1H2NR1H3
SCHEMBL606300 0.76 HRH4 (0.49)
SCHEMBL4868988 0.76 HRH4 (0.39) JAK3
SCHEMBL15727044 0.70 HRH4 (0.42) GPR119RETNR1H2NR1H3UCHL1
SCHEMBL4877657 0.70 UCHL1 (0.42) GPR119NR1H2NR1H3UCHL1USP30
SCHEMBL4876139 0.69 HRH4 (0.46) PIK3CAPIK3R1
SCHEMBL16931878 0.69 NR1H2 (0.41) GPR119RETPIK3CANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 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-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS EED 620/4885RBBP4 622/4885SUZ12 1092/4885

“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.