SCHEMBL21396884

SCHEMBL21396884

N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2ccc3c(c2)-c2ccccc2[Si]32c3cnccc3-c3ccncc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.34
PDE10A Q9Y233 9/20 0.32
PIK3CA P42336 1/20 0.32
SQOR Q9Y6N5 1/20 0.31
NPY5R Q15761 1/20 0.31
NRP1 O14786 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
SCHEMBL21397083 0.92 CYP11B2 (0.32) CYP11B2PDE10APIK3CASQORNPY5R
SCHEMBL21378062 0.92 CYP11B2 (0.32) CYP11B2PDE10APIK3CASQORNPY5R
SCHEMBL21397178 0.90 PDE9A (0.34) CYP11B2PDE10ANPY5R
SCHEMBL21377935 0.88 PDE9A (0.31) CYP11B2
SCHEMBL21396611 0.87 SQOR (0.31) SQOR
SCHEMBL21378013 0.86 PDE9A (0.32) CYP11B2NPY5R
SCHEMBL21396594 0.86 CYP11B2 (0.30) CYP11B2
SCHEMBL21396591 0.86 CYP11B2 (0.30) CYP11B2
SCHEMBL23344000 0.81 MAPK14 (0.39) CYP11B2PIK3CASQORNRP1
SCHEMBL20596047 0.80 PDE9A (0.36) SQOR

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 1221/4885PDE10A 3833/4885PIK3CA 2773/4885

“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.