SCHEMBL9976744

SCHEMBL9976744

[C-]#[N+]c1ccc(-c2ccc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc4c(cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc(-c6ccc(C#N)cc6)nc54)c3n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.37
PGR P06401 1/20 0.35
MAOB P27338 1/20 0.32
ALK Q9UM73 1/20 0.30
AR P10275 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
SCHEMBL9980024 0.92 PDK2 (0.42) PDK2PGRMAOBALKAR
SCHEMBL13642974 0.83 PDK2 (0.43) PDK2PGRMAOBAR
SCHEMBL10267603 0.82 PDK2 (0.38) PDK2PGRALK
SCHEMBL13084065 0.82 PDK2 (0.45) PDK2PGRMAOBAR
SCHEMBL9976749 0.81 PDK2 (0.35) PDK2ALK
SCHEMBL13083995 0.80 PDK2 (0.42) PDK2PGRMAOBALKAR
SCHEMBL13084048 0.80 PDK2 (0.42) PDK2PGRMAOBALKAR
SCHEMBL13083962 0.79 PDK2 (0.44) PDK2PGRMAOBALK
SCHEMBL13083991 0.79 PDK2 (0.44) PDK2PGRMAOBALK
SCHEMBL12577312 0.77 PDK2 (0.35) PDK2PGR

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-8877354-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-11-04 US disclosed
US-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-21 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-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME ORC3, CYP1A1, CRY1 PDK2 523/4885PGR 391/4885MAOB 612/4885

“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.