SCHEMBL4877858

SCHEMBL4877858

COC(=O)c1ccc2c(c1)OCCc1c-2nc(N)nc1N1CC2CCCN(C(=O)OC(C)(C)C)C2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 2/20 0.37
USP30 Q70CQ3 2/20 0.37
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
EED O75530 1/20 0.34
RBBP4 Q09028 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
AEBP2 Q6ZN18 1/20 0.34
PIK3R1 P27986 7/20 0.34
PIK3CA P42336 7/20 0.34
HRH4 Q9H3N8 3/20 0.34
BTK Q06187 1/20 0.33
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4875239 0.87 EED (0.38) UCHL1USP30NR1H2NR1H3EED
SCHEMBL605599 0.80 HRH4 (0.46) PIK3CAHRH4NPC1KDM4ERAB9A
SCHEMBL4873785 0.79 HRH4 (0.54) UCHL1NR1H2NR1H3PIK3R1PIK3CA
SCHEMBL4876826 0.78 HRH4 (0.37) HRH4
SCHEMBL4877386 0.77 HRH4 (0.52) UCHL1NR1H2NR1H3PIK3R1PIK3CA
SCHEMBL4868988 0.76 HRH4 (0.39) HRH4MEN1KMT2A
SCHEMBL15727044 0.70 HRH4 (0.42) UCHL1USP30NR1H2NR1H3HRH4
SCHEMBL4877657 0.70 UCHL1 (0.42) UCHL1USP30NR1H2NR1H3HRH4
SCHEMBL4876139 0.69 HRH4 (0.46) PIK3R1PIK3CAHRH4
SCHEMBL18636767 0.68 LMNA (0.47) USP30NR1H2NR1H3HRH4SMN1; SMN2

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 UCHL1 4628/4885USP30 3471/4885NR1H2 2355/4885

“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.