SCHEMBL4893148

SCHEMBL4893148

COc1cc2c(cc1OCCCN1CCCCC1)ncc1c(N)nc(-c3cccnc3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 13/20 1.00
EHMT2 Q96KQ7 6/20 0.63
DNMT1 P26358 2/20 0.63
EHMT1 Q9H9B1 4/20 0.56
RPS6KB1 P23443 1/20 0.52
AKT1 P31749 1/20 0.52
SPIN1 Q9Y657 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
SCHEMBL4887785 0.99 PDPK1 (0.98) PDPK1EHMT2DNMT1EHMT1RPS6KB1
SCHEMBL4896046 0.85 PDPK1 (0.74) PDPK1EHMT2DNMT1EHMT1SPIN1
SCHEMBL4745164 0.85 PDPK1 (1.00) PDPK1RPS6KB1AKT1
SCHEMBL4741697 0.85 PDPK1 (1.00) PDPK1RPS6KB1AKT1
SCHEMBL4745618 0.84 PDPK1 (0.84) PDPK1RPS6KB1AKT1
SCHEMBL4741789 0.80 PDPK1 (1.00) PDPK1RPS6KB1AKT1
SCHEMBL4745273 0.80 PDPK1 (0.67) PDPK1EHMT2DNMT1RPS6KB1AKT1
SCHEMBL4742016 0.79 PDPK1 (1.00) PDPK1RPS6KB1AKT1
SCHEMBL4787793 0.78 PDPK1 (0.76) PDPK1EHMT2EHMT1SPIN1
SCHEMBL4900964 0.78 PDPK1 (0.65) PDPK1EHMT2DNMT1RPS6KB1AKT1

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 1 patent. 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

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 2558/4885DNMT1 1925/4885

“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.