SCHEMBL4788511

SCHEMBL4788511

COC(=O)c1cncc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 15/20 0.61
HDAC4 P56524 15/20 0.61
HDAC1 Q13547 15/20 0.61
HDAC7 Q8WUI4 15/20 0.61
HDAC2 Q92769 15/20 0.61
HDAC10 Q969S8 15/20 0.61
HDAC11 Q96DB2 15/20 0.61
HDAC8 Q9BY41 15/20 0.61
HDAC6 Q9UBN7 15/20 0.61
HDAC9 Q9UKV0 15/20 0.61
HDAC5 Q9UQL6 15/20 0.61
AKT1 P31749 2/20 0.52
SSTR3 P32745 1/20 0.51
DYRK3 O43781 1/20 0.51
ROCK2 O75116 1/20 0.51
PRKD3 O94806 1/20 0.51
PRKCG P05129 1/20 0.51
LCK P06239 1/20 0.51
CDK1 P06493 1/20 0.51
PIM1 P11309 1/20 0.51

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
SCHEMBL4788516 1.00 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6855020 0.92 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6855016 0.92 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6858075 0.85 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6858072 0.85 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6930817 0.84 AKT1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6857647 0.84 AKT1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6857650 0.84 AKT1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6853403 0.84 AKT1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4744851 0.84 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2

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 HDAC3 1566/4885HDAC4 938/4885HDAC1 1351/4885

“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.