SCHEMBL23968923

SCHEMBL23968923

N#CC(C#N)=C1c2cc(C#N)c(-c3ccncc3)cc2-c2cc(-c3ccncc3)c(C#N)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.44
BLM P54132 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PDE5A O76074 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
XDH P47989 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MAPT P10636 3/20 0.36
PKM P14618 2/20 0.36

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
SCHEMBL21917341 0.84 ALDH1A1 (0.42) CYP2C19KDM4EHPGDXDHMAPT
SCHEMBL23969123 0.84 ALDH1A1 (0.42) CYP2C19KDM4EHPGDXDHMAPT
SCHEMBL21917132 0.83 MMP3 (0.39) PTGS1MAPTPKMMEN1KMT2A
SCHEMBL23968847 0.83 MMP3 (0.39) PTGS1MAPTPKMMEN1KMT2A
SCHEMBL21917430 0.81 CNR1 (0.38) PTGS1MAPTPKMMEN1KMT2A
SCHEMBL21917279 0.81 MMP3 (0.42) MAPTPKMMEN1KMT2AALDH1A1
SCHEMBL23968949 0.81 CNR1 (0.38) PTGS1MAPTPKMMEN1KMT2A
SCHEMBL23969027 0.81 ALDH1A1 (0.33) PDE3BPDE3ACYP2C19LMNABLM
SCHEMBL21917103 0.81 KIF11 (0.42) XDHMAPTALDH1A1TDP1
SCHEMBL21917429 0.81 KIF11 (0.42) XDHMAPTALDH1A1TDP1

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-11165025-B2 Compound and organic electronic element comprising same LG CHEM, LTD. 2021-11-02 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-11165025-B2 Compound and organic electronic element comprising same OR10J3, ESR1, ETV6 PDE3B 4694/4885PDE3A 4777/4885CYP2C19 638/4885

“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.