SCHEMBL22073887

SCHEMBL22073887

Clc1nc(-c2ccccc2)nc(-c2cc3sc4ccccc4c3c3ccccc23)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GPR3 P46089 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ MAPT P10636 4/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ ADK P55263 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ WEE1 P30291 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
SCHEMBL27362542 0.87 MEN1 (0.34) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL24759069 0.86 MEN1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL25709212 0.86 MEN1 (0.33) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL27392131 0.85 ADORA2A (0.35) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL29384396 0.85 TSHR (0.36) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL17524705 0.85 TSHR (0.36) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL22276547 0.83 ADORA2A (0.38) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL24384341 0.83 MEN1 (0.39) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL21707261 0.83 TSHR (0.35) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL27362294 0.83 TSHR (0.35) ALDH1A1MEN1KMT2AL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11367839-B2 Compound for organic electric element, organic electric element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2022-06-21 — — US disclosed
US-20220069233-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE LT MATERIALS CO.,LTD. (KR) 2022-03-03 — — US disclosed
US-20220029104-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2022-01-27 — — US disclosed
US-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2021-01-14 — — US disclosed
WO-2020138814-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 엘티소재주식회사 2020-07-02 — — WO disclosed
WO-2020130392-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-06-25 — — WO disclosed
US-20200203623-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2020-06-25 — — US disclosed
WO-2020116816-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-06-11 — — WO 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 (4 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-11367839-B2 Compound for organic electric element, organic electric element using the same, and an electronic device thereof ORAI2, KCNJ2, OR10J3 ALDH1A1 2536/4885MEN1 1110/4885KMT2A 631/4885
US-20220069233-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE OR10J3, OR51E2, AOX1 ALDH1A1 55/4885MEN1 4342/4885KMT2A 3143/4885
US-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 ALDH1A1 9/4885MEN1 257/4885KMT2A 758/4885
US-20200203623-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF GPX1, PIEZO1, ORAI2 ALDH1A1 1362/4885MEN1 1172/4885KMT2A 2503/4885

“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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