SCHEMBL21397178

SCHEMBL21397178

Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)c(-n2c3ccccc3c3cc(C)ccc32)c(-n2c3ccccc3c3cc(C)ccc32)c(-c2ccc3c(c2)-c2ccccc2[Si]32c3ccccc3-c3ccncc32)c1-n1c2ccccc2c2cc(C)ccc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.34
PDE1C Q14123 1/20 0.34
CYP11B2 P19099 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
PDE10A Q9Y233 11/20 0.32
NPY5R Q15761 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDE2A O00408 1/20 0.30
DHODH Q02127 1/20 0.30
PDE4B Q07343 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
SCHEMBL21396884 0.90 CYP11B2 (0.34) CYP11B2PDE10ANPY5R
SCHEMBL21378075 0.89 PDE1C (0.35) PDE9APDE1CCYP11B2PTGDR2NPY5R
SCHEMBL21396590 0.86 PDE1C (0.34) PDE9APDE1CPTGDR2KDM4EALDH1A1
SCHEMBL21397083 0.83 CYP11B2 (0.32) CYP11B2PDE10ANPY5R
SCHEMBL21378062 0.83 CYP11B2 (0.32) CYP11B2PDE10ANPY5R
SCHEMBL21377984 0.81 PDE9A (0.32) PDE9APDE1CCYP11B2
SCHEMBL21378052 0.81 NRP1 (0.33) PDE9APDE1C
SCHEMBL21396606 0.80 PDE9A (0.37) PDE9APDE1CCYP11B2PDE10ANPY5R
SCHEMBL21378023 0.80 PDE9A (0.37) PDE9APDE1CCYP11B2PDE10ANPY5R
SCHEMBL21378005 0.80 PDE9A (0.37) PDE9APDE1CCYP11B2PDE10ANPY5R

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 4875/4885CYP11B2 1221/4885

“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.