SCHEMBL4745529

SCHEMBL4745529

COc1cc2ncc3c(N)nc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3c2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 10/20 0.45
▸ EHMT2 Q96KQ7 2/20 0.43
▸ ALOX5AP P20292 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ NSD2 O96028 2/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ HPGDS O60760 1/20 0.41
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ PDE4B Q07343 1/20 0.41

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
SCHEMBL4744810 0.96 PDPK1 (0.46) PDPK1EHMT2NSD2ADRA1DADRA1A
SCHEMBL4745296 0.90 NSD2 (0.48) PDPK1EHMT2NSD2ADRA1DADRA1A
SCHEMBL4745236 0.86 PDPK1 (0.46) PDPK1ADRA1DADRA1AADRA1B
SCHEMBL4745159 0.83 ADRA1D (0.47) PDPK1ADRA1DADRA1AADRA1B
SCHEMBL4788528 0.81 PDPK1 (0.53) PDPK1
SCHEMBL4899664 0.81 PDPK1 (0.53) PDPK1
SCHEMBL4891422 0.76 PDPK1 (0.56) PDPK1
SCHEMBL25343562 0.75 HPGDS (0.46) ALOX5APFEN1HPGDS
SCHEMBL27211398 0.75 HPGDS (0.46) ALOX5APFEN1HPGDS
SCHEMBL29457389 0.75 HPGDS (0.46) ALOX5APFEN1HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 — — US disclosed
WO-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 — — WO 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 PDPK1 1/4885EHMT2 2558/4885ALOX5AP 3735/4885

“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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