SCHEMBL2704641

SCHEMBL2704641

Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CO)C(=O)N(C[C@@H]1CCCN1)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.43
DPP8 Q6V1X1 15/20 0.41
DPP9 Q86TI2 14/20 0.41
PARP1 P09874 1/20 0.40
CYP3A4 P08684 6/20 0.40
CYP2C19 P33261 1/20 0.39
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL2704642 1.00 DPP4 (0.43) DPP4DPP8DPP9PARP1CYP3A4
SCHEMBL2704662 0.91 DPP4 (0.51) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL2704664 0.91 DPP4 (0.51) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL2703080 0.81 DPP4 (0.43) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL2703338 0.80 DPP4 (0.62) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL8269203 0.77 ALDH1A1 (0.41) DPP4DPP8DPP9CYP3A4
SCHEMBL2703558 0.77 DPP4 (0.50) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL4013584 0.76 DPP4 (0.52) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL2701664 0.76 DPP4 (0.49) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL2702832 0.75 DPP4 (0.44) DPP4DPP8DPP9CYP3A4CYP2C19

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 8 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
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-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 US 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
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 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.