SCHEMBL14330536

SCHEMBL14330536

c1ccc(-c2ccc3ccc4c5c(ccc2c35)cc2c4c3cnccc3n2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ TOP2A P11388 1/20 0.33
▸ CDC7 O00311 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ RAC2 P15153 1/20 0.31
▸ RAC3 P60763 1/20 0.31
▸ CDC42 P60953 1/20 0.31
▸ RAC1 P63000 1/20 0.31
▸ HASPIN Q8TF76 1/20 0.31
▸ MAOA P21397 4/20 0.31
▸ MAOB P27338 4/20 0.31
▸ ACHE P22303 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CDK6 Q00534 1/20 0.31

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
SCHEMBL14330575 0.93 CDK4 (0.35) KDM4EATML3MBTL1TNFTOP2A
SCHEMBL14330546 0.92 KDM4E (0.37) KDM4EATML3MBTL1TNFTOP2A
SCHEMBL14330548 0.87 TNF (0.36) KDM4EATML3MBTL1TNFTOP2A
SCHEMBL14329624 0.85 TOP2A (0.42) KDM4EATML3MBTL1TOP2AMAOA
SCHEMBL14330588 0.85 KDM4E (0.36) KDM4EATML3MBTL1TOP2ADYRK1A
SCHEMBL14330568 0.85 ESR1 (0.43) ATMMAPTALDH1A1
SCHEMBL14330492 0.84 KDM4E (0.35) KDM4EATML3MBTL1NPY5RALDH1A1
SCHEMBL12731465 0.83 CYP11B1 (0.41) KDM4EATML3MBTL1MAPTCYP1A2
SCHEMBL14330557 0.83 TNF (0.33) TNFCDC7CDK2DYRK1A
SCHEMBL14330540 0.83 MAOA (0.40) KDM4EATML3MBTL1TNFTOP2A

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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