SCHEMBL16707339

SCHEMBL16707339

CC(C)n1cc(C#CCN)c(N)nc1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 3/20 0.33
CYP2A6 P11509 3/20 0.33
CYP2B6 P20813 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2C8 P10632 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP3A4 P08684 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
SCHEMBL25753271 0.88 TLR8 (0.31)
SCHEMBL22326854 0.87 CYP2E1 (0.34) CYP2E1CYP2A6CYP2B6CYP2C19CYP2C8
SCHEMBL26746936 0.87 CDK1 (0.32)
SCHEMBL25638688 0.86
SCHEMBL23502876 0.83 TLR8 (0.34) CYP2E1CYP2A6CYP2B6CYP2C19CYP2C8
SCHEMBL21308089 0.81 CYP2E1 (0.35) CYP2E1CYP2A6CYP2B6CYP2C19CYP2C8
SCHEMBL25753275 0.81 ACACB (0.33)
SCHEMBL23563318 0.80 PGK1 (0.30)
SCHEMBL16710430 0.80 CYP2E1 (0.36) CYP2E1CYP2A6CYP2B6CYP2C19CYP2C8
SCHEMBL17124955 0.79 PNP (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203083-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 US disclosed
US-20230119408-A1 NUCLEOTIDE ANALOGS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-04-20 US disclosed
US-20230028359-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-01-26 US disclosed
US-20220119779-A1 MODIFIED PYROCOCCUS POLYMERASES AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2022-04-21 US disclosed
US-10738072-B1 Nucleotide analogues Singular Genomics Systems, Inc. (US) 2020-08-11 US disclosed
US-9512163-B2 Compositions and methods for conjugating oligonucleotides AGILENT TECHNOLOGIES, INC. (US) 2016-12-06 US disclosed
US-20150133631-A1 Compositions and Methods for Conjugating Oligonucleotides AGILENT TECHNOLOGIES, INC. 2015-05-14 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 (5 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-20230119408-A1 NUCLEOTIDE ANALOGS AND USES THEREOF NUDT1, PNP, NT5C2 CYP2E1 3731/4885CYP2A6 1878/4885CYP2B6 1222/4885
US-20230028359-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 CYP2E1 4109/4885CYP2A6 1541/4885CYP2B6 1379/4885
US-10738072-B1 Nucleotide analogues NUDT1, POLN, TYMP CYP2E1 3868/4885CYP2A6 1939/4885CYP2B6 1344/4885
US-20150133631-A1 Compositions and Methods for Conjugating Oligonucleotides DCLRE1A, NR0B1, NR0B2 CYP2E1 4111/4885CYP2A6 3951/4885CYP2B6 4023/4885
US-20230203083-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 CYP2E1 4109/4885CYP2A6 1541/4885CYP2B6 1379/4885

“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.