SCHEMBL21144845

SCHEMBL21144845

CN(C)C(=O)C(N)Cc1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.48
FAP Q12884 2/20 0.48
DPP8 Q6V1X1 2/20 0.48
DPP9 Q86TI2 2/20 0.48
DPP7 Q9UHL4 2/20 0.48
TPH1 P17752 1/20 0.46
MAOB P27338 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.43
NSD2 O96028 1/20 0.43
CYP2A6 P11509 1/20 0.42
GPR142 Q7Z601 1/20 0.41
SLC7A5 Q01650 1/20 0.40
EPHX1 P07099 1/20 0.40
ACACB O00763 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
AKT3 Q9Y243 1/20 0.40
EPHX2 P34913 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40

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
SCHEMBL23270320 1.00 DPP4 (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL21144842 1.00 DPP4 (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL8647476 0.87 DPP4 (0.45) DPP4FAPDPP8DPP9DPP7
SCHEMBL29965012 0.84 MAOB (0.52) DPP4FAPDPP8DPP9DPP7
SCHEMBL14899604 0.83 DPP4 (0.52) DPP4FAPDPP8DPP9DPP7
SCHEMBL684432 0.83 DPP4 (0.52) DPP4FAPDPP8DPP9DPP7
SCHEMBL6444878 0.81 MAOB (0.48) MAOBLOXL2NSD2CYP2A6SAE1
SCHEMBL6444879 0.81 MAOB (0.48) MAOBLOXL2NSD2CYP2A6SAE1
SCHEMBL6444877 0.81 MAOB (0.48) MAOBLOXL2NSD2CYP2A6SAE1
SCHEMBL8650928 0.80 DPP4 (0.52) DPP4FAPDPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246122-A1 Triazine Compounds and Uses Thereof Aduro Biotech, Inc. (US) 2021-08-12 US disclosed
EP-3810600-A1 TRIAZINE COMPOUNDS AND USES THEREOF Aduro BioTech, Inc. (US) 2021-04-28 EP disclosed
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 EP disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 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 (3 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-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L DPP4 3896/4885FAP 4385/4885DPP8 3178/4885
US-20210246122-A1 Triazine Compounds and Uses Thereof IL5, IL15, TLR5 DPP4 153/4885FAP 1748/4885DPP8 817/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L DPP4 3896/4885FAP 4385/4885DPP8 3178/4885

“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.