SCHEMBL14330623

SCHEMBL14330623

Brc1ccc2ccc3c4c(ccc1c24)cc1c3c2ccncc2n1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 4/20 0.37
▸ CDK6 Q00534 3/20 0.37
▸ REN P00797 6/20 0.36
▸ DYRK1A Q13627 2/20 0.34
▸ TOP2A P11388 1/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ AOC3 Q16853 3/20 0.32
▸ CCND1 P24385 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ KDM4C Q9H3R0 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
SCHEMBL14330617 0.91 REN (0.36) CDK4CDK6RENTOP2AAXL
SCHEMBL10034238 0.85 L3MBTL1 (0.46) CYP1A2
SCHEMBL2601571 0.85 L3MBTL1 (0.46) CYP1A2
SCHEMBL14329625 0.84 CDK4 (0.39) CDK4CDK6DYRK1ATOP2AKCNH2
SCHEMBL14330589 0.82 DYRK1A (0.37) CDK4CDK6RENDYRK1ATOP2A
SCHEMBL14330584 0.81 CDK4 (0.34) CDK4CDK6RENDYRK1ATOP2A
SCHEMBL14330572 0.81 CYP11B1 (0.37) CDK4CDK6RENDYRK1ATOP2A
SCHEMBL14330576 0.81 MAOA (0.39) CDK4CDK6TOP2AKCNH2AOC3
SCHEMBL10034251 0.81 LDHA (0.32) CDK4CCND1
SCHEMBL14330590 0.80 KDM4C (0.37) CDK4CDK6RENDYRK1ATOP2A

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 CDK4 17/4885CDK6 732/4885REN 3539/4885

“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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