SCHEMBL18155082

SCHEMBL18155082

O=c1cc(CCl)nc2ccc(Cl)c(Cl)n12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRIN2A Q12879 10/20 0.36
GRIN1 Q05586 9/20 0.36
GRIA2 P42262 3/20 0.36
GRIN2D O15399 1/20 0.36
GRIN2C Q14957 1/20 0.36
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL10967519 0.77 HTT (0.47) KDM4ETDP1L3MBTL1POLBAPEX1
SCHEMBL890409 0.73 RXFP1 (0.56) KDM4ETDP1L3MBTL1POLBAPEX1
SCHEMBL3152080 0.71 PKM (0.56) KDM4ETDP1POLBALDH1A1GRIN2A
SCHEMBL890532 0.67 GRIN1 (0.49) KDM4ETDP1L3MBTL1POLBALDH1A1
SCHEMBL10966083 0.67 KDM4E (0.62) KDM4ETDP1POLBALDH1A1GRIN2A
SCHEMBL23726394 0.67 RXFP1 (0.56) KDM4ETDP1L3MBTL1POLBALDH1A1
SCHEMBL890385 0.66 PKM (0.56) KDM4EALDH1A1GRIN2AGRIN1SMN1; SMN2
SCHEMBL29232190 0.66 KDM4E (0.49) KDM4ETDP1L3MBTL1POLBAPEX1
SCHEMBL17657908 0.64 GRIN1 (0.48) POLBHTTGRIN2AGRIN1GRIA2
SCHEMBL23725727 0.64 KDM4E (0.43) KDM4ETDP1L3MBTL1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531696-B Pyridopyrimidinones as NMDA receptor modulators and their use 豪夫迈·罗氏有限公司 2021-03-16 CN disclosed
EP-3283487-B1 PYRIDOPYRIMIDINONES AND THEIR USE AS NMDA RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2019-10-16 EP disclosed
US-10280165-B2 Pyridopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2019-05-07 US disclosed
US-10280165-B2 Pyridopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2019-05-07 US disclosed
US-20180127414-A1 PYRIDOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-05-10 US disclosed
US-20180127414-A1 PYRIDOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-05-10 US disclosed
US-20180127414-A1 PYRIDOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-05-10 US disclosed
EP-3283487-A1 PYRIDOPYRIMIDINONES AND THEIR USE AS NMDA RECEPTOR MODULATORS F. Hoffmann-La Roche AG (CH) 2018-02-21 EP disclosed
WO-2016166078-A1 PYRIDOPYRIMIDINONES AND THEIR USE AS NMDA RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2016-10-20 WO disclosed
WO-2016166078-A1 PYRIDOPYRIMIDINONES AND THEIR USE AS NMDA RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2016-10-20 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-20180127414-A1 PYRIDOPYRIMIDINONES AND METHODS OF USE THEREOF PDXK, XDH, PNPO KDM4E 1193/4885TDP1 564/4885L3MBTL1 4167/4885
US-10280165-B2 Pyridopyrimidinones and methods of use thereof PDXK, XDH, PNPO KDM4E 1193/4885TDP1 564/4885L3MBTL1 4167/4885

“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.