Sugi Predict

Sugi Predict / Compounds / SCHEMBL21116554

SCHEMBL21116554

SCHEMBL21116554

Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)c(-n6c7ccc(Cc8ccc(-c9ccc%10c%11ccc(-c%12ccc(C)cc%12C)cc%11n(-c%11cc(-c%12ccc(C#N)c(-n%13c%14cc(-c%15ccc(C)cc%15C)ccc%14c%14ccc(-c%15ccc(C)cc%15C)cc%14%13)c%12)ccc%11C#N)c%10c9)c(C)c8)cc7c7ccc(-c8ccc(C)cc8C)cc76)c5)ccc4C#N)c3c2)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ AR P10275 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ NSD2 O96028 2/20 0.31
▸ RXRA P19793 1/20 0.30
▸ RXRB P28702 1/20 0.30
▸ MAT2A P31153 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
SCHEMBL23798858 0.90 AR (0.38) PDE9APDE1CARNSD2
SCHEMBL21116552 0.88 AR (0.38) PDE9APDE1CARNSD2
SCHEMBL23798847 0.85 AR (0.36) AR
SCHEMBL21116275 0.83 AR (0.36) AR
SCHEMBL20150313 0.81 KDM4E (0.33) ARMAT2A
SCHEMBL23798661 0.81 AR (0.41) AR
SCHEMBL21116485 0.81 AR (0.48) ARMAT2A
SCHEMBL21116544 0.81 AR (0.38) PDE9APDE1CARMAT2A
SCHEMBL21116459 0.81 AR (0.38) PDE9APDE1CAR
SCHEMBL21116543 0.81 AR (0.38) PDE9APDE1CARMAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 — — US disclosed
US-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 — — 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-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NOX3, ORC3 PDE9A 4620/4885PDE1C 4878/4885AR 1096/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 PDE9A 4637/4885PDE1C 4878/4885AR 1080/4885

“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.