SCHEMBL5269350

SCHEMBL5269350

O=Cc1cn2c(n1)CNCC2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HDAC2 Q92769 3/20 0.36
HDAC1 Q13547 2/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MGLL Q99685 3/20 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
SCHEMBL20330389 0.73 PDCD1 (0.43) PDCD1CD274HDAC2HDAC1TLR9
SCHEMBL107873 0.73 PDCD1 (0.50) PDCD1CD274HDAC2HDAC1TLR9
SCHEMBL2927941 0.73 WDR5 (0.46)
SCHEMBL15933517 0.73 PDCD1 (0.43) PDCD1CD274HDAC2HDAC1TLR9
SCHEMBL4072309 0.72 HDAC2 (0.46) PDCD1CD274HDAC2HDAC1TLR9
SCHEMBL870366 0.71 ALDH1A1 (0.44) HDAC2HDAC1
SCHEMBL15933428 0.71 HDAC2 (0.51) PDCD1CD274HDAC2HDAC1TLR9
SCHEMBL13531866 0.71 HDAC2 (0.46) PDCD1CD274HDAC2HDAC1TLR9
SCHEMBL15882090 0.70 PDCD1 (0.45) PDCD1CD274HDAC2HDAC1TLR9
SCHEMBL2928791 0.70 ALDH1A1 (0.43)

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
WO-2019102494-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-05-31 WO disclosed
EP-1583534-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-08-29 EP disclosed
US-20060052382-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. 2006-03-09 US disclosed
EP-1583534-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-10-12 EP disclosed
WO-2004058266-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-07-15 WO 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-20060052382-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 PDCD1 2968/4885CD274 4097/4885HDAC2 1929/4885

“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.