SCHEMBL17664601

SCHEMBL17664601

CCNC(=O)c1nnc(C(C)(C)C)o1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.40
DPP4 P27487 4/20 0.38
DPP8 Q6V1X1 3/20 0.38
DPP7 Q9UHL4 3/20 0.38
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ELANE P08246 3/20 0.33
MAPK1 P28482 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
SCHEMBL24061674 0.85 BTK (0.40) BTKDPP4DPP8DPP7ELANE
SCHEMBL17660274 0.82 RAB9A (0.40) BTKDPP4DPP8DPP7HDAC4
SCHEMBL21366084 0.80 DPP4 (0.38) BTKDPP4DPP8DPP7CTSL
SCHEMBL17664593 0.79 DPP4 (0.40) BTKDPP4DPP8DPP7ELANE
SCHEMBL13631414 0.77 ALDH1A1 (0.38) DPP4DPP8DPP7MAPK1
SCHEMBL11418825 0.75 ALDH1A1 (0.33) MAPK1
SCHEMBL17645774 0.74 DPP4 (0.39) DPP4DPP8DPP7CTSLCTSB
SCHEMBL8840142 0.74 PTPN1 (0.39) BTKDPP4DPP8DPP7ELANE
SCHEMBL12734314 0.74 DPP4 (0.37) BTKDPP4DPP8DPP7ELANE
SCHEMBL21538962 0.72 BTK (0.36) BTKDPP4DPP8DPP7ELANE

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
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 EP disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 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-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885DPP4 2792/4885DPP8 2471/4885

“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.