SCHEMBL21717446

SCHEMBL21717446

c1cc(-n2c3ccccc3c3ccc4ccccc4c32)c2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3sc4ccccc4c3c2)c2ccccc2n1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL21717290 0.97 ALDH1A1 (0.30) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL21717138 0.93 ALDH1A1 (0.33) GSRKDM4EALDH1A1MAPTHPGD
SCHEMBL21717351 0.91 GSR (0.34) GSRKDM4EALDH1A1MAPTHPGD
SCHEMBL21716372 0.91 PTGES (0.32) GSR
SCHEMBL21717331 0.89 GSR (0.34) GSRKDM4EALDH1A1MAPTHPGD
SCHEMBL21717087 0.89 ALDH1A1 (0.33) GSRKDM4EALDH1A1MAPTHPGD
SCHEMBL21717251 0.88 MEN1 (0.32)
SCHEMBL21716369 0.87 PTGES (0.32)
SCHEMBL21716284 0.87 GSR (0.35) GSR
SCHEMBL21717687 0.87 MEN1 (0.32)

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 3951/4885KDM4E 1813/4885ALDH1A1 33/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 GSR 3951/4885KDM4E 1813/4885ALDH1A1 33/4885

“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.