SCHEMBL23312591

SCHEMBL23312591

c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c4c(c3)sc3ccccc34)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ADORA2A P29274 4/20 0.36
▸ ADORA1 P30542 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ F9 P00740 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ WEE1 P30291 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ SLC9A1 P19634 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL23312669 0.97 MEN1 (0.37) GPR3L3MBTL1ADORA2AADORA1MEN1
SCHEMBL23517744 0.97 MEN1 (0.37) GPR3L3MBTL1ADORA2AADORA1MEN1
SCHEMBL23517791 0.97 MEN1 (0.37) GPR3L3MBTL1ADORA2AADORA1MEN1
SCHEMBL23312896 0.97 MEN1 (0.37) GPR3L3MBTL1ADORA2AADORA1MEN1
SCHEMBL23312684 0.97 MEN1 (0.37) GPR3L3MBTL1ADORA2AADORA1MEN1
SCHEMBL23312940 0.96 GPR3 (0.35) GPR3L3MBTL1ADORA2AADORA1MEN1
SCHEMBL25851941 0.94 MEN1 (0.37) GPR3L3MBTL1ADORA2AADORA1MEN1
SCHEMBL27392268 0.94 MEN1 (0.37) GPR3L3MBTL1ADORA2AADORA1MEN1
SCHEMBL23517745 0.93 ADORA2A (0.35) GPR3L3MBTL1ADORA2AADORA1MEN1
SCHEMBL23517647 0.93 GPR3 (0.35) GPR3L3MBTL1ADORA2AADORA1MEN1

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 5 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
WO-2024111923-A1 ORGANIC LIGHT-EMITTING DEVICE, AND COMPOSITION FOR FORMING ORGANIC MATERIAL LAYER 엘티소재주식회사 2024-05-30 — — WO 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 GPR3 3739/4885L3MBTL1 1524/4885ADORA2A 3452/4885
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 GPR3 3739/4885L3MBTL1 1524/4885ADORA2A 3452/4885

“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.

Send feedback