SCHEMBL4745296

SCHEMBL4745296

COc1cc2ncc3c(N)nc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.48
▸ PDPK1 O15530 10/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ EHMT2 Q96KQ7 2/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ RCOR1 Q9UKL0 1/20 0.44
▸ EPHA2 P29317 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ EPHB4 P54760 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ DNMT3A Q9Y6K1 1/20 0.43
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ MAPK7 Q13164 1/20 0.42

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 0.95 PDPK1 (0.46) NSD2PDPK1KDM4EALDH1A1HPGD
SCHEMBL4745529 0.90 PDPK1 (0.45) NSD2PDPK1EHMT2ADRA1DADRA1A
SCHEMBL4745236 0.84 PDPK1 (0.46) PDPK1EPHA2KDREPHB4ADRA1D
SCHEMBL4745159 0.84 ADRA1D (0.47) PDPK1EPHA2KDREPHB4ADRA1D
SCHEMBL4891422 0.81 PDPK1 (0.56) PDPK1
SCHEMBL4745867 0.77 PDPK1 (0.53) PDPK1KDM4EALDH1A1HPGD
SCHEMBL21045723 0.77 TRPC6 (0.56) NSD2KDM4EALDH1A1HPGDNPSR1
SCHEMBL30440094 0.77 TRPC6 (0.56) NSD2KDM4EALDH1A1HPGDNPSR1
SCHEMBL15184382 0.76 MEN1 (0.50) KDM4EALDH1A1HPGDNPSR1MEN1
SCHEMBL4899664 0.75 PDPK1 (0.53) PDPK1

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 NSD2 1682/4885PDPK1 1/4885KDM4E 1909/4885

“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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