SCHEMBL3967464

SCHEMBL3967464

[C-]#[N+]c1nc(N2CCCC(NC(=O)OC(C)(C)C)C2)n(CC=C(C)C)c1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.42
BTK Q06187 3/20 0.41
JAK3 P52333 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAP4K4 O95819 2/20 0.39
EGFR P00533 1/20 0.37
LCK P06239 1/20 0.37
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL6843485 0.90 CA1 (0.43) DPP4BTKJAK3CA1CA2
SCHEMBL5435581 0.89 BTK (0.42) DPP4BTKJAK3CA1CA2
SCHEMBL556164 0.89 MAP4K4 (0.46) DPP4BTKJAK3CA1CA2
SCHEMBL5437210 0.89 MAP4K4 (0.46) DPP4BTKJAK3CA1CA2
SCHEMBL4635245 0.88 BTK (0.41) DPP4BTKJAK3CA1CA2
SCHEMBL3971382 0.87 BTK (0.41) DPP4BTKJAK3CA1CA2
SCHEMBL556256 0.87 BTK (0.41) DPP4BTKJAK3CA1CA2
SCHEMBL3977507 0.87 BTK (0.43) DPP4BTKJAK3CA1CA2
SCHEMBL554830 0.85 BTK (0.40) DPP4BTKJAK3CA1CA2
SCHEMBL556933 0.85 BTK (0.40) DPP4BTKJAK3CA1CA2

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-7569574-B2 Purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-04 US disclosed
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 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-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 DPP4 1/4885BTK 3668/4885JAK3 2454/4885

“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.