SCHEMBL23517530

SCHEMBL23517530

c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc4sc5ccccc5c34)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ MAP3K8 P41279 3/20 0.34
▸ GP6 Q9HCN6 1/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ABCG2 Q9UNQ0 2/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ F9 P00740 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 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
SCHEMBL25645756 0.96 PIK3CA (0.37) ADORA2AADORA1PIK3CAPI4KAPI4KB
SCHEMBL23312658 0.96 ADORA2A (0.36) ADORA2AADORA1PIK3CAPI4KAPI4KB
SCHEMBL23517735 0.96 ADORA2A (0.36) ADORA2AADORA1PIK3CAPI4KAPI4KB
SCHEMBL23517531 0.95 PIK3CA (0.38) ADORA2AADORA1PIK3CAPI4KAPI4KB
SCHEMBL23517757 0.95 ADORA2A (0.35) ADORA2AADORA1PIK3CAPI4KAPI4KB
SCHEMBL23517745 0.95 ADORA2A (0.35) ADORA2AADORA1PIK3CAPI4KAPI4KB
SCHEMBL23517675 0.95 PIK3CA (0.38) ADORA2AADORA1PIK3CAPI4KAPI4KB
SCHEMBL23312649 0.95 MAP3K8 (0.36) ADORA2AADORA1PIK3CAPI4KAPI4KB
SCHEMBL23517647 0.95 GPR3 (0.35) ADORA2AADORA1PIK3CAPI4KAPI4KB
SCHEMBL23312868 0.94 PIK3CA (0.37) ADORA2AADORA1PIK3CAPI4KAPI4KB

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-12018022-B2 Heterocyclic compound, organic light emitting diode comprising same, composition for organic layer of organic light emitting diode, and method for manufacturing organic light emitting diode LT MATERIALS CO., LTD. (KR) 2024-06-25 — — US disclosed
US-12018022-B2 Heterocyclic compound, organic light emitting diode comprising same, composition for organic layer of organic light emitting diode, and method for manufacturing organic light emitting diode LT MATERIALS CO., LTD. (KR) 2024-06-25 — — US disclosed
US-20210179596-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE LT MATERIALS CO., LTD. (KR) 2021-06-17 — — 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-12018022-B2 Heterocyclic compound, organic light emitting diode comprising same, composition for organic layer of organic light emitting diode, and method for manufacturing organic light emitting diode ODC1, AOX1, CYP1B1 ADORA2A 3452/4885ADORA1 2017/4885PIK3CA 3981/4885
US-20210179596-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE ODC1, AOX1, CYP1B1 ADORA2A 3452/4885ADORA1 2017/4885PIK3CA 3981/4885

“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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