SCHEMBL14330588

SCHEMBL14330588

c1ccc(-n2c3ccccc3c3cc(-c4ccc5ccc6c7c(ccc4c57)cc4c6c5ccncc5n4-c4ccccc4)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ CDK4 P11802 3/20 0.35
▸ CDK6 Q00534 3/20 0.35
▸ DYRK1A Q13627 2/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ TOP2A P11388 1/20 0.33
▸ TDO2 P48775 2/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ REN P00797 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
SCHEMBL14330546 0.93 KDM4E (0.37) KDM4EATML3MBTL1NPY5RDYRK1A
SCHEMBL14330575 0.92 CDK4 (0.35) KDM4EATML3MBTL1NPY5RCDK4
SCHEMBL14330589 0.85 DYRK1A (0.37) CDK4CDK6DYRK1AGSK3BKCNH2
SCHEMBL14330536 0.85 KDM4E (0.35) KDM4EATML3MBTL1NPY5RCDK4
SCHEMBL12731465 0.84 CYP11B1 (0.41) KDM4EATML3MBTL1CYP1A2
SCHEMBL14330593 0.84 DYRK1A (0.37) CDK4CDK6DYRK1AGSK3BKCNH2
SCHEMBL21190562 0.84 L3MBTL1 (0.51) KDM4EATML3MBTL1NPY5RPTGER4
SCHEMBL14330576 0.83 MAOA (0.39) KDM4EATML3MBTL1CDK4CDK6
SCHEMBL14330501 0.83 KDM4E (0.37) KDM4EATML3MBTL1NPY5RPTGER4
SCHEMBL14330572 0.82 CYP11B1 (0.37) KDM4EATML3MBTL1CDK4CDK6

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-8623521-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-07 — — US disclosed
US-8623521-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-07 — — US disclosed
US-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — US disclosed
US-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — 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-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D KDM4E 3157/4885ATM 2677/4885L3MBTL1 1328/4885

“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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