SCHEMBL23312658

SCHEMBL23312658

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c5c(c4)sc4ccccc45)c3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ MAP3K8 P41279 3/20 0.34
▸ GPR3 P46089 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ABCG2 Q9UNQ0 2/20 0.33
▸ F9 P00740 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP1A2 P05177 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
SCHEMBL23517735 0.97 ADORA2A (0.36) ADORA2AADORA1MAP3K8GPR3L3MBTL1
SCHEMBL23517530 0.96 ADORA2A (0.35) ADORA2AADORA1MAP3K8GPR3L3MBTL1
SCHEMBL23517531 0.96 PIK3CA (0.38) ADORA2AADORA1MAP3K8GPR3L3MBTL1
SCHEMBL23312649 0.96 MAP3K8 (0.36) ADORA2AADORA1MAP3K8GPR3L3MBTL1
SCHEMBL23517740 0.96 ADORA2A (0.37) ADORA2AADORA1MAP3K8GPR3L3MBTL1
SCHEMBL23730954 0.95 MEN1 (0.41) ADORA2AADORA1MAP3K8L3MBTL1MEN1
SCHEMBL25645756 0.95 PIK3CA (0.37) ADORA2AADORA1MAP3K8GPR3F9
SCHEMBL23312375 0.95 MAP3K8 (0.37) ADORA2AADORA1MAP3K8GPR3L3MBTL1
SCHEMBL23517781 0.95 MAP3K8 (0.37) ADORA2AADORA1MAP3K8GPR3L3MBTL1
SCHEMBL23312510 0.95 ADORA2A (0.36) ADORA2AADORA1MAP3K8GPR3L3MBTL1

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 4 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
EP-3812381-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) 2021-04-28 — — EP 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 2017/4885MAP3K8 3593/4885
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 2017/4885MAP3K8 3593/4885

“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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