SCHEMBL26553067

SCHEMBL26553067

Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccc(C)cc7)nc(-c7ccc(C)cc7)n6)c5)c4C#N)c3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 7/20 0.48
▸ ADORA2A P29274 6/20 0.48
▸ HPGD P15428 5/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ NPSR1 Q6W5P4 4/20 0.48
▸ PPARG P37231 1/20 0.48
▸ NCOA2 Q15596 1/20 0.48
▸ NCOA1 Q15788 1/20 0.48
▸ NCOA3 Q9Y6Q9 1/20 0.48
▸ ADORA2B P29275 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ DYRK1A Q13627 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL26553151 0.88 ADORA1 (0.46) ADORA1ADORA2AHPGDKDM4ENPSR1
SCHEMBL25774045 0.87 ADORA2A (0.49) ADORA1ADORA2AHPGDKDM4ENPSR1
SCHEMBL25038386 0.85 ADORA1 (0.42) ADORA1ADORA2AHPGDKDM4ENPSR1
SCHEMBL26274210 0.83 ALDH1A1 (0.43) ADORA1ADORA2AHPGDKDM4ENPSR1
SCHEMBL26274834 0.82 CLK4 (0.47) ADORA1ADORA2AKDM4EALDH1A1MEN1
SCHEMBL26275689 0.82 GABRG2 (0.45) ADORA1ADORA2AHPGDKDM4ENPSR1
SCHEMBL26553152 0.82 ADORA2A (0.44) ADORA1ADORA2AHPGDKDM4ENPSR1
SCHEMBL25038440 0.81 MEN1 (0.42) ADORA1ADORA2AHPGDKDM4ENPSR1
SCHEMBL25777807 0.80 ADORA1 (0.51) ADORA1ADORA2AHPGDKDM4ENPSR1
SCHEMBL19762130 0.80 RAB9A (0.50) ADORA1ADORA2AHPGDKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331704-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2023-10-19 — — US disclosed
US-20230331704-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2023-10-19 — — 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-20230331704-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME NR2E3, NR2E1, NR0B2 ADORA1 353/4885ADORA2A 1443/4885HPGD 4259/4885

“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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