SCHEMBL2704359

SCHEMBL2704359

CCOC(=O)c1c(C)nc2c(c1-c1ccc(Cl)cc1Cl)CNC2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 11/20 0.64
▸ CDC7 O00311 1/20 0.45
▸ DBF4 Q9UBU7 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ DPP8 Q6V1X1 8/20 0.43
▸ DPP9 Q86TI2 8/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ CACNB4 O00305 1/20 0.40
▸ CACNA1A O00555 1/20 0.40
▸ CACNA1G O43497 1/20 0.40

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
SCHEMBL4410442 0.90 DPP4 (0.63) DPP4DPP8DPP9CYP3A4
SCHEMBL2703843 0.79 DPP4 (0.62) DPP4DPP8DPP9CYP3A4
SCHEMBL2702776 0.78 DPP4 (1.00) DPP4DPP8DPP9CYP3A4
SCHEMBL2703841 0.78 DPP4 (0.73) DPP4DPP8DPP9CYP3A4
SCHEMBL28435242 0.77 MAPT (0.52) DPP4CDC7DBF4MAPTKDM4E
SCHEMBL2703070 0.77 DPP4 (0.68) DPP4DPP8DPP9CYP3A4
SCHEMBL4410469 0.75 DPP4 (0.65) DPP4DPP8DPP9CYP3A4
SCHEMBL4410445 0.75 DPP4 (0.56) DPP4DPP8DPP9CYP3A4POLB
SCHEMBL8268871 0.72 MAPT (0.47) DPP4CDC7DBF4MAPTKDM4E
SCHEMBL295426 0.71 MAPT (0.48) DPP4CDC7DBF4MAPTKDM4E

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 1/4885CDC7 3613/4885DBF4 1695/4885

“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.

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