SCHEMBL293902

SCHEMBL293902

COCCc1nc(C)c(C#N)c(-c2ccc(Cl)cc2Cl)c1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ HPGD P15428 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ DPP4 P27487 4/20 0.41
▸ DPP8 Q6V1X1 3/20 0.41
▸ ALPL P05186 2/20 0.39
▸ PLA2G2A P14555 2/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ CRHR1 P34998 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL293972 0.92 GSK3A (0.44) GSK3AGSK3BDYRK1ACLK4HPGD
SCHEMBL293409 0.88 GSK3A (0.44) GSK3AGSK3BDYRK1ACLK4HPGD
SCHEMBL295317 0.81 GSK3A (0.45) GSK3AGSK3BDYRK1ACLK4HPGD
SCHEMBL2703349 0.81 KDM4E (0.45) GSK3AGSK3BDYRK1ACLK4HPGD
SCHEMBL3817263 0.74 POLB (0.40) HPGDNPSR1PLA2G2AKDM4EMEN1
SCHEMBL8268871 0.72 MAPT (0.47) HPGDNPSR1DPP4DPP8ALPL
SCHEMBL2704427 0.72 PLA2G2A (0.44) DPP4DPP8ALPLPLA2G2AS1PR4
SCHEMBL2076166 0.71 KDM4E (0.56) DPP4ALPLS1PR4CRHR1KDM4E
SCHEMBL28435242 0.71 MAPT (0.52) HPGDNPSR1DPP4DPP8ALPL
SCHEMBL3819858 0.70 CYP1A2 (0.36) HPGDPLA2G2AKDM4EMAPTRXFP1

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 11 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
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
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
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
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
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
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 GSK3A 822/4885GSK3B 764/4885DYRK1A 989/4885

“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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