SCHEMBL4890843

SCHEMBL4890843

COCCOc1cc2ncc3c(N)nc(N4CCCC4)cc3c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 14/20 1.00
SPIN1 Q9Y657 2/20 0.47
KDR P35968 2/20 0.46
KMT5A Q9NQR1 1/20 0.46
RPS6KB1 P23443 1/20 0.46
AKT1 P31749 1/20 0.46

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
SCHEMBL4744771 0.91 PDPK1 (0.83) PDPK1KDR
SCHEMBL4888580 0.90 PDPK1 (0.84) PDPK1RPS6KB1AKT1
SCHEMBL4741553 0.89 PDPK1 (1.00) PDPK1RPS6KB1AKT1
SCHEMBL4899329 0.86 PDPK1 (0.76) PDPK1RPS6KB1AKT1
SCHEMBL4744460 0.86 PDPK1 (0.80) PDPK1
SCHEMBL4894801 0.83 PDPK1 (0.70) PDPK1RPS6KB1AKT1
SCHEMBL4747109 0.82 PDPK1 (0.70) PDPK1KMT5A
SCHEMBL4741555 0.81 PDPK1 (0.73) PDPK1RPS6KB1AKT1
SCHEMBL4785549 0.81 PDPK1 (1.00) PDPK1RPS6KB1AKT1
SCHEMBL29644973 0.81 PDPK1 (1.00) PDPK1KDRRPS6KB1AKT1

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 1/4885SPIN1 3223/4885KDR 3906/4885

“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.