SCHEMBL300231

SCHEMBL300231

NCc1ccc2c(n1)CCNC2=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.44
CYP1A2 P05177 1/20 0.44
PARP11 Q9NR21 6/20 0.39
PARP10 Q53GL7 5/20 0.39
PARP1 P09874 4/20 0.39
PDPK1 O15530 1/20 0.39
ACHE P22303 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDE4B Q07343 1/20 0.38
CDC7 O00311 3/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
PLK1 P53350 1/20 0.36
CCNA1 P78396 1/20 0.36
MAP4K1 Q92918 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
SCHEMBL10314903 0.80 GRM5 (0.47) GRM5CYP1A2PARP11PARP10PARP1
SCHEMBL23649631 0.78 GRM5 (0.46) GRM5CYP1A2PARP11PARP10PARP1
SCHEMBL3403552 0.75 GRM5 (0.46) GRM5CYP1A2PARP11PARP10PARP1
SCHEMBL10008839 0.75 ACHE (0.49) GRM5CYP1A2PARP11PARP10PARP1
SCHEMBL30130624 0.75 PARP10 (0.49) GRM5CYP1A2PARP11PARP10PARP1
SCHEMBL19153633 0.75 PARP10 (0.49) GRM5CYP1A2PARP11PARP10PARP1
SCHEMBL18237665 0.71 GRM5 (0.43) GRM5CYP1A2PARP11PARP10PARP1
SCHEMBL5264754 0.71 PARP10 (0.47) GRM5CYP1A2PARP11PARP10PARP1
SCHEMBL31501830 0.71 MAP4K1 (0.45) GRM5CYP1A2PARP11PARP10PARP1
SCHEMBL10008159 0.71 GRM5 (0.53) GRM5CYP1A2PARP11PARP10PARP1

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 GRM5 2380/4885CYP1A2 387/4885PARP11 1816/4885

“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.