SCHEMBL14330596

SCHEMBL14330596

c1ccc(-n2c3cnccc3c3c4ccc5ccc(-c6ccc(N(c7ccccn7)c7ccccn7)cc6)c6ccc(cc32)c4c56)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.33
▸ CDK4 P11802 2/20 0.32
▸ CDK6 Q00534 2/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL14330560 0.93 TNF (0.30) —
SCHEMBL10034163 0.91 KDM4E (0.32) —
SCHEMBL2601477 0.91 KDM4E (0.32) —
SCHEMBL14330593 0.91 DYRK1A (0.37) DYRK1ACDK4CDK6GSK3BKCNH2
SCHEMBL2601524 0.88 KDM4E (0.32) —
SCHEMBL10034186 0.88 KDM4E (0.32) —
SCHEMBL14330514 0.85 — —
SCHEMBL14330557 0.83 TNF (0.33) DYRK1A
SCHEMBL14330589 0.83 DYRK1A (0.37) DYRK1ACDK4CDK6GSK3BKCNH2
SCHEMBL14330595 0.82 DYRK1A (0.31) DYRK1A

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 DYRK1A 3897/4885CDK4 17/4885CDK6 732/4885

“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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