SCHEMBL293957

SCHEMBL293957

CCOC(=O)c1c(CC#N)nc(C)c(C(=O)O)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CDC7 O00311 1/20 0.41
▸ DBF4 Q9UBU7 1/20 0.41
▸ DPP4 P27487 2/20 0.40
▸ DPP8 Q6V1X1 2/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ FABP3 P05413 1/20 0.39
▸ FABP4 P15090 1/20 0.39

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
SCHEMBL363607 0.89 ADORA3 (0.43) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL295426 0.88 MAPT (0.48) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL295215 0.85 MAPT (0.45) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL2703349 0.79 KDM4E (0.45) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL8268871 0.78 MAPT (0.47) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL28435242 0.77 MAPT (0.52) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL364227 0.77 KDM4E (0.49) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL4403200 0.77 MAPT (0.49) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL2704427 0.74 PLA2G2A (0.44) MAPTKDM4ESMN1; SMN2DPP4DPP8
SCHEMBL18157030 0.73 ALDH1A1 (0.46) MAPTKDM4ERAB9ANPC1SMN1; SMN2

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-2086975-B1 7,8-DIHYDRO-1,6-NAPHTHYRIDIN-5(6H)-ONES AND RELATED BICYCLIC COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2012-03-14 — — EP disclosed
US-7723355-B2 7,8-dihydro-1,6-naphthyridin-5(6H)-ones and related bicyclic compounds as inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 — — US disclosed
EP-2086975-A2 7,8-DIHYDRO-1,6-NAPHTHYRIDIN-5(6H)-ONES AND RELATED BICYCLIC COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS Brystol-Myers Squibb Company (US) 2009-08-12 — — EP disclosed
US-20090149492-A1 7,8-DIHYDRO-1,6-NAPHTHYRIDIN-5(6H)-ONES AND RELATED BICYCLIC COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2009-06-11 — — US disclosed
WO-2008064107-A2 7,8-DIHYDRO-1,6-NAPHTHYRIDIN-5(6H)-ONES AND RELATED BICYCLIC COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-29 — — 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-20090149492-A1 7,8-DIHYDRO-1,6-NAPHTHYRIDIN-5(6H)-ONES AND RELATED BICYCLIC COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS DPP4, DPP7, DPP8 MAPT 3203/4885KDM4E 1740/4885RAB9A 2556/4885

“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.

Send feedback