SCHEMBL21717033

SCHEMBL21717033

c1ccc2cc3c(cc2c1)c1ccc(-n2c4ccccc4c4ccc5ccccc5c42)cc1n3-c1cccc2c(-c3nc4ccccc4nc3-c3ccc4c(ccc5ccccc54)c3)cccc12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.34
TDP1 Q9NUW8 1/20 0.32
PDPK1 O15530 8/20 0.32
CA9 Q16790 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
SCHEMBL21716505 0.95 GSR (0.33) GSRPDPK1
SCHEMBL21717466 0.94 GSR (0.36) GSRTDP1
SCHEMBL21716280 0.94 GSR (0.36) GSRTDP1
SCHEMBL21717546 0.90 GSR (0.33) GSRTDP1
SCHEMBL21716299 0.90 GSR (0.30) GSR
SCHEMBL21716766 0.90 GSR (0.34) GSRTDP1PDPK1CA9
SCHEMBL21716688 0.90 GSR (0.32) GSRTDP1PDPK1
SCHEMBL21716502 0.89 GSR (0.34) GSRTDP1PDPK1CA9
SCHEMBL21716276 0.88 GSR (0.35) GSR
SCHEMBL21716858 0.88 GSR (0.35) GSR

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 3951/4885TDP1 1382/4885PDPK1 2799/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 GSR 3951/4885TDP1 1382/4885PDPK1 2799/4885

“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.