SCHEMBL21716993

SCHEMBL21716993

c1ccc2c(-n3c4ccccc4c4ccc5ccccc5c43)c3c4ccccc4n(-c4nc5ccccc5nc4-c4ccc5oc6ccccc6c5c4)c3cc2c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 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
SCHEMBL21716890 0.92 CHEK2 (0.36) CHEK2
SCHEMBL21717600 0.90 SIRT2 (0.32) CHEK2SIRT2SIRT1
SCHEMBL21716893 0.89 CHEK2 (0.33) CHEK2SIRT2SIRT1
SCHEMBL21716257 0.88 CHEK2 (0.34) CHEK2
SCHEMBL21717683 0.88 CHEK2 (0.34) CHEK2
SCHEMBL21716987 0.87
SCHEMBL24849007 0.85 TDP1 (0.33) CHEK2SIRT2SIRT1
SCHEMBL23471675 0.84 SIRT2 (0.30) CHEK2SIRT2SIRT1
SCHEMBL24848686 0.84 SIRT2 (0.33) CHEK2SIRT2SIRT1
SCHEMBL21716278 0.84 GSR (0.35) CHEK2SIRT2SIRT1

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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 CHEK2 2353/4885SIRT2 881/4885SIRT1 579/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 CHEK2 2353/4885SIRT2 881/4885SIRT1 579/4885

“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.