SCHEMBL20129436

SCHEMBL20129436

CCNC(=O)c1c(C)ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)cc(=O)n12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 19/20 1.00
GRIN2A Q12879 19/20 1.00
GRIA2 P42262 5/20 0.72

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
SCHEMBL21480474 0.94 GRIN1 (0.88) GRIN1GRIN2AGRIA2
SCHEMBL18160805 0.93 GRIN2A (0.88) GRIN1GRIN2AGRIA2
SCHEMBL20129447 0.93 GRIN1 (0.86) GRIN1GRIN2AGRIA2
SCHEMBL20129444 0.92 GRIN2A (1.00) GRIN1GRIN2AGRIA2
SCHEMBL18161045 0.88 GRIN2A (0.81) GRIN1GRIN2AGRIA2
SCHEMBL20129441 0.86 GRIN1 (1.00) GRIN1GRIN2AGRIA2
SCHEMBL20129440 0.85 GRIN1 (1.00) GRIN1GRIN2AGRIA2
SCHEMBL20129446 0.84 GRIN1 (0.79) GRIN1GRIN2AGRIA2
SCHEMBL17958259 0.84 GRIN1 (1.00) GRIN1GRIN2AGRIA2
SCHEMBL16645455 0.82 GRIN2A (0.84) GRIN1GRIN2AGRIA2

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
CN-107531696-B Pyridopyrimidinones as NMDA receptor modulators and their use 豪夫迈·罗氏有限公司 2021-03-16 CN claimed
EP-3283487-B1 PYRIDOPYRIMIDINONES AND THEIR USE AS NMDA RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2019-10-16 EP claimed
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

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 GRIN1 1955/4885GRIN2A 2896/4885GRIA2 2803/4885
US-10280165-B2 Pyridopyrimidinones and methods of use thereof PDXK, XDH, PNPO GRIN1 1955/4885GRIN2A 2896/4885GRIA2 2803/4885

“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.