SCHEMBL21982961

SCHEMBL21982961

C#CC1CC1c1c(C)sc2nc(CN(CC)c3ccc(C)cn3)cc(=O)n12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 20/20 0.52
GRIN2A Q12879 20/20 0.52
GRIA2 P42262 17/20 0.52

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
SCHEMBL17975722 0.83 GRIN1 (0.61) GRIN1GRIN2AGRIA2
SCHEMBL16645680 0.83 GRIN1 (0.61) GRIN1GRIN2AGRIA2
SCHEMBL17975723 0.77 GRIN2A (0.69) GRIN1GRIN2AGRIA2
SCHEMBL17975721 0.77 GRIN2A (0.80) GRIN1GRIN2AGRIA2
SCHEMBL16645677 0.77 GRIN2A (0.69) GRIN1GRIN2AGRIA2
SCHEMBL16645845 0.77 GRIN2A (0.80) GRIN1GRIN2AGRIA2
SCHEMBL20403421 0.75 GRIN2A (0.59) GRIN1GRIN2AGRIA2
SCHEMBL16637422 0.75 GRIN2A (0.74) GRIN1GRIN2AGRIA2
SCHEMBL20403489 0.74 GRIN2A (0.61) GRIN1GRIN2AGRIA2
SCHEMBL16636628 0.74 GRIN2A (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 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 (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-10647731-B2 Thiazolopyrimidinones and methods of use thereof TPMT, THPO, CYP11B2 GRIN1 2250/4885GRIN2A 2506/4885GRIA2 2761/4885

“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.