SCHEMBL4403247

SCHEMBL4403247

Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CNC(=O)OC(C)(C)C)C(=O)NC2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.46
DPP8 Q6V1X1 10/20 0.39
DPP9 Q86TI2 8/20 0.39
CYP3A4 P08684 2/20 0.39
IDO1 P14902 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KCNH2 Q12809 1/20 0.37
SHMT1 P34896 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
SCHEMBL2702984 0.88 DPP4 (0.52) DPP4DPP8DPP9CYP3A4KCNH2
SCHEMBL4410469 0.87 DPP4 (0.65) DPP4DPP8DPP9CYP3A4KCNH2
SCHEMBL2702979 0.82 DPP4 (0.41) DPP4DPP8DPP9CYP3A4KCNH2
SCHEMBL2705289 0.80 DPP4 (0.53) DPP4DPP8DPP9CYP3A4KCNH2
SCHEMBL4405019 0.80 DPP4 (0.54) DPP4DPP8DPP9CYP3A4KCNH2
SCHEMBL2704200 0.79 DPP4 (0.44) DPP4DPP8DPP9CYP3A4KCNH2
SCHEMBL2704559 0.79 DPP4 (0.71) DPP4DPP8DPP9CYP3A4
SCHEMBL8268966 0.75 DPP4 (0.67) DPP4DPP8DPP9CYP3A4
SCHEMBL2702859 0.75 DPP4 (0.70) DPP4DPP8DPP9CYP3A4KCNH2
SCHEMBL8269247 0.75 DPP4 (0.71) DPP4DPP8DPP9CYP3A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888589-B1 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
US-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 US disclosed
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 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-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 DPP4 1/4885DPP8 7/4885DPP9 2/4885

“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.