SCHEMBL25987125

SCHEMBL25987125

C=N/C(=C\C=C/C)c1ccc(-c2ccc(Oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 3/20 0.36
▸ BCL2L1 Q07817 2/20 0.36
▸ RXRA P19793 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ACACB O00763 6/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.33
▸ LMNA P02545 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
SCHEMBL25942238 0.83 RXRA (0.34) RXRAMAPK1MAPTL3MBTL1HPGD
SCHEMBL19487117 0.77 MEN1 (0.41) MAPTMEN1HPGDCYP2C19KMT2A
SCHEMBL19101609 0.77 TSHR (0.32) MAPK1MAPTL3MBTL1MEN1HPGD
SCHEMBL20169564 0.74 KDM4E (0.37) CYP1A2LMNAALDH1A1TDP1CHEK2
SCHEMBL22041094 0.73 PARP10 (0.44) MEN1HPGDKMT2APARP10TSHR
SCHEMBL22414079 0.73 MAPK1 (0.53) MCL1MAPK1MAPTL3MBTL1MEN1
SCHEMBL21882437 0.73 MAPK1 (0.53) MCL1MAPK1MAPTL3MBTL1MEN1
SCHEMBL25985434 0.73 MAPK1 (0.53) MCL1MAPK1MAPTL3MBTL1MEN1
SCHEMBL25985400 0.73 MAPK1 (0.53) MCL1MAPK1MAPTL3MBTL1MEN1
SCHEMBL22650171 0.72 KDM4E (0.36) KMT2ALMNAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730009-B2 Compound and organic light-emitting element comprising same LG CHEM, LTD. 2023-08-15 — — 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 (1 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-11730009-B2 Compound and organic light-emitting element comprising same CRY2, CRY1, NR2E3 MCL1 1847/4885BCL2L1 1963/4885RXRA 115/4885

“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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