SCHEMBL15945610

SCHEMBL15945610

c1ccc(-n2c3ccncc3c3cc(-c4ccc5c(c4)c4ccncc4n5-c4ccccc4)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.43
▸ CDK6 Q00534 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DYRK1A Q13627 2/20 0.43
▸ MAOA P21397 4/20 0.39
▸ MAOB P27338 4/20 0.39
▸ ACHE P22303 1/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ METAP2 P50579 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ AOC3 Q16853 2/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ REN P00797 2/20 0.35

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
SCHEMBL15855397 0.96 CDK4 (0.41) CDK4CDK6KDM4EATML3MBTL1
SCHEMBL15945625 0.96 CDK4 (0.43) CDK4CDK6KDM4EATML3MBTL1
SCHEMBL15945609 0.96 KDM4E (0.47) CDK4CDK6KDM4EATML3MBTL1
SCHEMBL15945680 0.94 KDM4E (0.46) CDK4CDK6KDM4EATML3MBTL1
SCHEMBL15945614 0.94 KDM4E (0.44) CDK4CDK6KDM4EATML3MBTL1
SCHEMBL15945627 0.94 CDK4 (0.40) CDK4CDK6KDM4EATML3MBTL1
SCHEMBL15945585 0.93 KDM4E (0.53) CDK4CDK6KDM4EATML3MBTL1
SCHEMBL15945584 0.93 KDM4E (0.53) CDK4CDK6KDM4EATML3MBTL1
SCHEMBL25946458 0.93 KDM4E (0.44) CDK4CDK6KDM4EATML3MBTL1
SCHEMBL12114929 0.93 KDM4E (0.44) CDK4CDK6KDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9627629-B2 Compound for organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-04-18 — — US disclosed
US-9627629-B2 Compound for organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-04-18 — — US disclosed
US-20140225088-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES INC. (KR) 2014-08-14 — — US disclosed
US-20140225088-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES INC. (KR) 2014-08-14 — — 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-20140225088-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR10J3, AOX1, NR2E3 CDK4 226/4885CDK6 1565/4885KDM4E 2599/4885

“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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