SCHEMBL21396587

SCHEMBL21396587

Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc3c2[Si]2(c4ccncc4-c4cnccc42)c2ccccc2-3)cc(-n2c3ccccc3c3cc(C)ccc32)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.33
ACHE P22303 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
CYP17A1 P05093 1/20 0.30
PDE9A O76083 1/20 0.30
PDE1C Q14123 1/20 0.30

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
SCHEMBL21396919 0.92 PDE9A (0.34) ACHEPTGDR2PDE9APDE1C
SCHEMBL21396585 0.90 CYP11B2 (0.32) CYP11B2
SCHEMBL21397181 0.90 CYP11B2 (0.33) CYP11B2
SCHEMBL21378074 0.89 PTGDR2 (0.33) PTGDR2PDE9APDE1C
SCHEMBL21378032 0.81 ACHE (0.40) CYP11B2ACHEGRIN1GRIN2A
SCHEMBL21377994 0.81 ACHE (0.40) CYP11B2ACHEGRIN1GRIN2A
SCHEMBL21377979 0.81 ACHE (0.40) CYP11B2ACHEGRIN1GRIN2A
SCHEMBL21396830 0.81 PDE9A (0.31) PDE9APDE1C
SCHEMBL21397090 0.81 TSPO (0.31) PDE9APDE1C
SCHEMBL21397080 0.80 KDR (0.30)

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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-09-26 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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 CYP11B2 1221/4885ACHE 251/4885GRIN1 1201/4885

“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.