SCHEMBL4900947

SCHEMBL4900947

COc1cc2ncc3c(N)nc(-c4cncc(OC[C@@H](N)CNc5ccc(F)c(Cl)c5)c4)cc3c2cc1OC

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 20/20 0.67
RPS6KB1 P23443 19/20 0.67
AKT1 P31749 19/20 0.67

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
SCHEMBL4899384 0.90 PDPK1 (0.68) PDPK1RPS6KB1AKT1
SCHEMBL4745641 0.89 PDPK1 (0.73) PDPK1RPS6KB1AKT1
SCHEMBL4745643 0.89 PDPK1 (0.73) PDPK1RPS6KB1AKT1
SCHEMBL4787961 0.89 PDPK1 (0.74) PDPK1RPS6KB1AKT1
SCHEMBL4893100 0.88 PDPK1 (0.70) PDPK1RPS6KB1AKT1
SCHEMBL4786513 0.87 PDPK1 (0.78) PDPK1RPS6KB1AKT1
SCHEMBL4898401 0.85 PDPK1 (0.73) PDPK1RPS6KB1AKT1
SCHEMBL4894811 0.84 PDPK1 (0.71) PDPK1RPS6KB1AKT1
SCHEMBL4744437 0.84 PDPK1 (0.76) PDPK1RPS6KB1AKT1
SCHEMBL4744434 0.84 PDPK1 (0.76) PDPK1RPS6KB1AKT1

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 1/4885RPS6KB1 250/4885AKT1 157/4885

“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.