SCHEMBL21308902

SCHEMBL21308902

c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6cccc(-c7c8ccccc8nc8c7ccc7cccnc78)c6)cc5)c4c32)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 5/20 0.34
▸ ESR1 P03372 4/20 0.33
▸ ESR2 Q92731 4/20 0.33
▸ MAPT P10636 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL20207943 0.95 MTOR (0.33) TOP1ESR1ESR2MAPTMEN1
SCHEMBL20208138 0.93 MTOR (0.32) TOP1ESR1ESR2MAPTHSP90AA1
SCHEMBL21308548 0.93 KDM4E (0.35) TOP1ESR1ESR2MAPTMEN1
SCHEMBL21309015 0.92 KDM4E (0.36) TOP1ESR1ESR2MAPTMEN1
SCHEMBL20207912 0.91 KDM4E (0.37) TOP1ESR1ESR2MAPTHSP90AA1
SCHEMBL20208141 0.90 KDM4E (0.35) TOP1ESR1ESR2MAPTMEN1
SCHEMBL21308558 0.89 TOP1 (0.36) TOP1ESR1ESR2MAPTMEN1
SCHEMBL20208139 0.88 — —
SCHEMBL20208142 0.88 PDE10A (0.39) TOP1ESR1ESR2MAPTMEN1
SCHEMBL21308554 0.88 PDE10A (0.39) TOP1ESR1ESR2MAPTMEN1

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-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

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 TOP1 839/4885ESR1 223/4885ESR2 622/4885
US-11248008-B2 Heterocyclic compound and organic light emitting element using same CRY1, CRY2, CYP1A1 TOP1 839/4885ESR1 223/4885ESR2 622/4885

“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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