SCHEMBL19501141

SCHEMBL19501141

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5ccccc5c5ccccc5c34)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ ADORA2A P29274 2/20 0.47
▸ ADORA2B P29275 2/20 0.47
▸ ADORA1 P30542 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 5/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ ATM Q13315 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL19172218 1.00 TSHR (0.47) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL19501143 0.92 TSHR (0.45) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL19501150 0.91 ADORA2A (0.41) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL19501149 0.91 TSHR (0.41) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL25774922 0.91 L3MBTL1 (0.63) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL22851317 0.91 TSHR (0.44) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL19501145 0.90 L3MBTL1 (0.45) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL19501147 0.90 MEN1 (0.41) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL21636499 0.89 TSHR (0.42) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL19501144 0.89 GP6 (0.41) TSHRADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827623-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) 2023-11-28 — — US disclosed
US-11827623-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) 2023-11-28 — — US disclosed
US-20210188816-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) 2021-06-24 — — US disclosed
WO-2021107474-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-06-03 — — WO disclosed
EP-3812380-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
US-20210094914-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER LT MATERIALS CO., LTD. (KR) 2021-04-01 — — US disclosed
US-20210013426-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2021-01-14 — — US disclosed
US-20170309831-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 — — US disclosed
US-20170309831-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 — — 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 (5 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-20210013426-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE OR10J3, OXER1, OR51E2 TSHR 3778/4885ADORA3 2648/4885ADORA2A 3882/4885
US-20210188816-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, CYP1B1, CYP1A1 TSHR 3628/4885ADORA3 3696/4885ADORA2A 3448/4885
US-20170309831-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE OR10J3, OXER1, OR51E2 TSHR 3778/4885ADORA3 2648/4885ADORA2A 3882/4885
US-11827623-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, CYP1B1, CYP1A1 TSHR 3628/4885ADORA3 3696/4885ADORA2A 3448/4885
US-20210094914-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER CYP1B1, NOTUM, FAR1 TSHR 3977/4885ADORA3 4167/4885ADORA2A 3993/4885

“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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