SCHEMBL11223477

SCHEMBL11223477

Cn1c(=O)n(Cc2cccnc2)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.58
GABRA5 P31644 2/20 0.58
GRIN1 Q05586 13/20 0.57
GRIN2B Q13224 13/20 0.57
PARG Q86W56 1/20 0.56
ALDH1A1 P00352 1/20 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
SCHEMBL6517583 0.86 PARG (0.58) GABRA1GABRA5GRIN1GRIN2BPARG
SCHEMBL24406022 0.83 ALDH1A1 (0.59) GRIN1GRIN2BPARGALDH1A1
SCHEMBL14992630 0.78 GRIN1 (0.52) GRIN1GRIN2BPARG
SCHEMBL25827046 0.76 CYP3A4 (0.55) GABRA5GRIN1GRIN2BPARG
SCHEMBL16695676 0.75 GBA1 (0.54) ALDH1A1
SCHEMBL2497505 0.74 LMNA (0.71) GABRA1GABRA5ALDH1A1
SCHEMBL31122012 0.74 PARG (1.00) PARG
SCHEMBL30345117 0.73 LMNA (0.62) GABRA1GABRA5GRIN1GRIN2BALDH1A1
SCHEMBL4915023 0.73 LMNA (0.62) GABRA1GABRA5GRIN1GRIN2BALDH1A1
SCHEMBL29888839 0.73 GRIN1 (1.00) GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
EP-0005610-B1 1-(HETEROCYCLYLALKYL)-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONES, THEIR PREPARATION, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS BETA-ADRENERGIC RECEPTOR BLOCKERS JANSSEN PHARMACEUTICA N.V. (BE) 1982-12-15 EP disclosed
US-4181802-A ADRENERGIC BLOCKING AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-01 US disclosed
EP-0005610-A2 1-(Heterocyclylalkyl)-1,3-dihydro-2H-benzimidazol-2-ones, their preparation, their pharmaceutical compositions and their use as beta-adrenergic receptor blockers JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-28 EP 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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 GABRA1 1454/4885GABRA5 2077/4885GRIN1 1743/4885

“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.