SCHEMBL21717082

SCHEMBL21717082

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2cc3c(cc12)c1ccccc1n3-c1nc2ccccc2nc1-c1cccc2c1sc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.39
ALOX5 P09917 1/20 0.35
PRKDC P78527 2/20 0.32

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
SCHEMBL21716209 0.98 ALOX5 (0.36) GSRALOX5PRKDC
SCHEMBL21213455 0.93 ALOX5 (0.37) GSRALOX5PRKDC
SCHEMBL21716877 0.92 GSR (0.33) GSRALOX5PRKDC
SCHEMBL21717063 0.91 GSR (0.33) GSRALOX5PRKDC
SCHEMBL21716814 0.88 ALOX5 (0.33) ALOX5PRKDC
SCHEMBL21717469 0.88 PRKDC (0.34) ALOX5PRKDC
SCHEMBL21716465 0.88 ALOX5 (0.33) ALOX5PRKDC
SCHEMBL21716934 0.87 GSR (0.41) GSR
SCHEMBL21717670 0.86 ALOX5 (0.34) GSRALOX5PRKDC
SCHEMBL21454971 0.85 KDM4E (0.36) GSRALOX5PRKDC

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 GSR 3951/4885ALOX5 758/4885PRKDC 4408/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 GSR 3951/4885ALOX5 758/4885PRKDC 4408/4885

“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.