SCHEMBL2701940

SCHEMBL2701940

Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1C(=O)Cl)C(=O)N(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DPP4 P27487 9/20 0.36
DPP8 Q6V1X1 6/20 0.36
DPP9 Q86TI2 6/20 0.36
CYP3A4 P08684 1/20 0.36
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
IL1B P01584 1/20 0.34
P2RX7 Q99572 1/20 0.34
APP P05067 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL2701939 1.00 ALDH1A1 (0.41) ALDH1A1MEN1LMNAMAPTTSHR
SCHEMBL2705103 0.94 ALDH1A1 (0.41) ALDH1A1MEN1LMNAMAPTTSHR
SCHEMBL2705099 0.94 ALDH1A1 (0.41) ALDH1A1MEN1LMNAMAPTTSHR
SCHEMBL8269203 0.90 ALDH1A1 (0.41) ALDH1A1MEN1LMNAMAPTTSHR
SCHEMBL4403207 0.90 ALDH1A1 (0.41) ALDH1A1MEN1LMNAMAPTTSHR
SCHEMBL4407938 0.89 DPP4 (0.47) DPP4DPP8DPP9CYP3A4
SCHEMBL8269198 0.88 ALDH1A1 (0.37) ALDH1A1MEN1LMNAMAPTTSHR
SCHEMBL4403946 0.82 DPP4 (0.41) DPP4DPP8DPP9CYP3A4
SCHEMBL2703080 0.78 DPP4 (0.43) DPP4DPP8DPP9CYP3A4
SCHEMBL2705144 0.78 DPP4 (0.43) DPP4DPP8DPP9CYP3A4

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 ALDH1A1 799/4885MEN1 4674/4885LMNA 2551/4885

“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.