SCHEMBL20208108

SCHEMBL20208108

c1ccc(-n2c(-c3ccc(-c4c5ccccc5nc5c4ccc4cccnc45)cc3)nc3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ GRIA1 P42261 1/20 0.42
▸ CACNG8 Q8WXS5 1/20 0.42
▸ CACNG2 Q9Y698 1/20 0.42
▸ ALDH1A1 P00352 7/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MDM2 Q00987 1/20 0.39

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
SCHEMBL21308867 0.99 ESR1 (0.44) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20208409 0.97 ESR1 (0.50) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL21308563 0.96 ESR1 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL21308927 0.93 ESR1 (0.41) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL21308535 0.93 ESR1 (0.43) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20207874 0.92 ESR1 (0.43) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL21308895 0.91 ESR1 (0.43) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL1102906 0.88 ESR1 (0.50) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL1103055 0.86 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL22963573 0.86 ESR1 (0.46) ESR1ESR2GRIA1CACNG8CACNG2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11248008-B2 Heterocyclic compound and organic light emitting element using same LT MATERIALS CO., LTD. (KR) 2022-02-15 — — US disclosed
US-20190263834-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME HEESUNG MATERIAL LTD. (KR) 2019-08-29 — — US disclosed
WO-2018097648-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME 희성소재(주) 2018-05-31 — — WO 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-20190263834-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME CRY1, CRY2, CYP1A1 ESR1 223/4885ESR2 622/4885GRIA1 620/4885
US-11248008-B2 Heterocyclic compound and organic light emitting element using same CRY1, CRY2, CYP1A1 ESR1 223/4885ESR2 622/4885GRIA1 620/4885

“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.

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