SCHEMBL21396919

SCHEMBL21396919

Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc3c2[Si]2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc(-n2c3ccccc3c3cc(C)ccc32)c1C#N

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.34
PDE1C Q14123 1/20 0.34
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPK1 P28482 1/20 0.30
STAT3 P40763 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL21378074 0.93 PTGDR2 (0.33) PDE9APDE1CPTGDR2
SCHEMBL21396587 0.92 CYP11B2 (0.33) PDE9APDE1CACHEPTGDR2
SCHEMBL21397090 0.88 TSPO (0.31) PDE9APDE1C
SCHEMBL21397080 0.83 KDR (0.30)
SCHEMBL21397112 0.82
SCHEMBL19917611 0.82 GABRA1 (0.37) PDE9APDE1CBCHEACHEPTGDR2
SCHEMBL21396585 0.81 CYP11B2 (0.32)
SCHEMBL21397181 0.81 CYP11B2 (0.33)
SCHEMBL21396830 0.80 PDE9A (0.31) PDE9APDE1CALDH1A1HPGD
SCHEMBL19917604 0.78 GABRG2 (0.39) BCHEACHEPTGDR2ALDH1A1MAPK1

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 PDE9A 4069/4885PDE1C 4875/4885BCHE 1512/4885

“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.