SCHEMBL16465441

SCHEMBL16465441

CC(C)C(N)C(=O)N1c2ncccc2CC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.44
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42

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
SCHEMBL16465438 1.00 ACE (0.44) ACEDPP8DPP9
Hydrochloric Acid SCHEMBL16464763 0.99 ACE (0.43) ACEDPP8DPP9
Hydrochloric Acid SCHEMBL16464765 0.99 ACE (0.43) ACEDPP8DPP9
SCHEMBL17094843 0.87 XIAP (0.46) DPP8DPP9
SCHEMBL16465601 0.87 XIAP (0.46) DPP8DPP9
SCHEMBL18419573 0.84 DPP8 (0.43) DPP8DPP9
SCHEMBL16466326 0.84 KDM4E (0.43) DPP8DPP9
SCHEMBL18419569 0.84 DPP8 (0.43) DPP8DPP9
SCHEMBL16466327 0.84 KDM4E (0.43) DPP8DPP9
Hydrochloric Acid SCHEMBL17094851 0.83 DPP8 (0.42) ACEDPP8DPP9

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
EP-2906559-B1 AZAINDOLINES HOFFMANN LA ROCHE (CH) 2017-02-08 EP disclosed
US-9309248-B2 Azaindolines HOFFMANN-LA ROCHE INC. (US) 2016-04-12 US disclosed
US-20150266879-A1 AZAINDOLINES HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
EP-2906559-A1 AZAINDOLINES F. Hoffmann-La Roche AG (CH) 2015-08-19 EP disclosed
WO-2014056871-A1 AZAINDOLINES F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 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-20150266879-A1 AZAINDOLINES AZI2, H1-5, CCNY ACE 4661/4885DPP8 4008/4885DPP9 3697/4885

“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.