SCHEMBL3788261

SCHEMBL3788261

O=C(O)c1cnc2cnccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.64
HPGDS O60760 1/20 0.50
NAPRT Q6XQN6 1/20 0.45
HCAR2 Q8TDS4 3/20 0.44
ALDH1A1 P00352 3/20 0.44
APP P05067 1/20 0.44
GAA P10253 1/20 0.44
HCAR3 P49019 1/20 0.44
PSMD14 O00487 1/20 0.44
LRRK2 Q5S007 1/20 0.41
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
P4HA1 P13674 3/20 0.41
P4HTM Q9NXG6 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MIF P14174 1/20 0.40
KMO O15229 1/20 0.40
CFTR P13569 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
SCHEMBL3787407 0.86 MGAM (0.64) MGAMNAPRTHCAR2ALDH1A1APP
Isoquinoline SCHEMBL28152444 0.84 MGAM (0.77) MGAMALDH1A1PSMD14MRGPRX4NPC1
SCHEMBL721917 0.84 HPGDS (0.55) MGAMHPGDSALDH1A1PSMD14LRRK2
SCHEMBL35212113 0.82 HPGDS (0.44) MGAMHPGDSALDH1A1LRRK2NPC1
SCHEMBL28946126 0.80 ALOX15 (0.54) HPGDSALDH1A1GAAPSMD14KDM4E
SCHEMBL4900459 0.80 HPGDS (0.55) MGAMHPGDSALDH1A1LRRK2NPC1
SCHEMBL11411063 0.79 MAPK10 (0.58) MGAMCSNK2A2CSNK2BMRGPRX4HIPK2
SCHEMBL69368 0.78 MGAM (0.68) MGAMHPGDSNAPRTALDH1A1GAA
SCHEMBL28048 0.78 MGAM (1.00) MGAMHPGDSALDH1A1PSMD14NPC1
SCHEMBL29362407 0.78 MGAM (1.00) MGAMHPGDSALDH1A1PSMD14NPC1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3999508-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-05-25 EP disclosed
WO-2021011724-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-01-21 WO disclosed
CN-107922348-A Bicyclic heterocyclic amide derivatives 大日本住友制药株式会社 2018-04-17 CN disclosed
EP-3027597-A1 1,7-NAPHTHYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-06-08 EP disclosed
CN-105473568-A 1, 7-naphthyridine derivatives HOFFMANN LA ROCHE 2016-04-06 CN disclosed
WO-2015014768-A1 1,7-NAPHTHYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-02-05 WO disclosed
US-8193359-B2 G-protein coupled receptor agonists PROSIDION LIMITED (GB) 2012-06-05 US disclosed
WO-2010112826-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-10-07 WO disclosed
US-20090099227-A1 G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2009-04-16 US disclosed
US-20080227806-A1 Novel Drugs for Dementia AMERICAN LIFE SCIENCE PHARMACEUTICALS (US) 2008-09-18 US disclosed
US-20080227806-A1 Novel Drugs for Dementia AMERICAN LIFE SCIENCE PHARMACEUTICALS (US) 2008-09-18 US disclosed
EP-1838706-A1 G-PROTEIN COUPLED RECEPTOR AGONISTS Prosidion Limited (GB) 2007-10-03 EP disclosed
WO-2007038772-A1 NOVEL DRUGS FOR DEMENTIA AMERICAN LIFE SCIENCE PHARMACEUTICALS (US) 2007-04-05 WO disclosed
WO-2006067532-A1 G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LTD (GB) 2006-06-29 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 (2 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-20080227806-A1 Novel Drugs for Dementia CTSS, PRSS1, CBS MGAM 3626/4885HPGDS 291/4885NAPRT 3261/4885
US-20090099227-A1 G-Protein Coupled Receptor Agonists GPR119, GPR65, GPR84 MGAM 2972/4885HPGDS 929/4885NAPRT 970/4885

“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.