SCHEMBL21746859

SCHEMBL21746859

C=N/C(C)=N\C(=C/C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ATM Q13315 2/20 0.31
▸ GLA P06280 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL19300441 0.81 AKT1 (0.38) CES2CES1LMNAL3MBTL1MAPK1
SCHEMBL20653559 0.81 MAOA (0.34) AKT1ATM
SCHEMBL23315016 0.74 F2 (0.37) CES2CES1LMNAL3MBTL1MAPK1
SCHEMBL21229634 0.73 MAPT (0.43) CES2CES1LMNAL3MBTL1MAPK1
SCHEMBL22071895 0.73 LMNA (0.36) CES2CES1LMNAL3MBTL1MAPK1
SCHEMBL22071486 0.71 CES2 (0.34) CES2CES1LMNAL3MBTL1MAPK1
SCHEMBL19101609 0.69 TSHR (0.32) CES1LMNAL3MBTL1MAPK1AKT1
SCHEMBL20625867 0.69 MEN1 (0.32) LMNAL3MBTL1MAPK1HTTAKT1
SCHEMBL22036325 0.69 LMNA (0.36) CES2CES1LMNAL3MBTL1MAPK1
SCHEMBL19018493 0.69 KDM1A (0.37) CES2CES1LMNAL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141152-B1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MAT CO LTD (JP) 2021-05-05 — — EP disclosed
US-20200283463-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-10 — — US disclosed
US-10693076-B2 Condensed-cyclic compound and organic light-emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-23 — — US disclosed
US-20200055886-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-20 — — US disclosed
US-10461262-B2 Condensed cyclic compound and an organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-29 — — US disclosed
US-20180076392-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-15 — — 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-20180076392-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME MCM7, CCNB2, CCNE2 CES2 649/4885CES1 2042/4885LMNA 1056/4885
US-20200283463-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE L1CAM, AP1M1, FOXM1 CES2 3776/4885CES1 3263/4885LMNA 2037/4885
US-10461262-B2 Condensed cyclic compound and an organic light-emitting device including the same CRY1, CRY2, CCNA1 CES2 1818/4885CES1 1749/4885LMNA 1432/4885
US-10693076-B2 Condensed-cyclic compound and organic light-emitting device comprising the same MCM7, CCNB2, CCNE2 CES2 649/4885CES1 2042/4885LMNA 1056/4885
US-20200055886-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME ORMDL3, ORC3, OR10J3 CES2 2919/4885CES1 3166/4885LMNA 4562/4885

“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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