SCHEMBL4895047

SCHEMBL4895047

COc1cc2c(cc1N1CCC(N3CCCC3)CC1)ncc1c(N)nc(-c3cccnc3C)cc12

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 15/20 0.66
HRH3 Q9Y5N1 2/20 0.39
KCNH2 Q12809 1/20 0.39
CHRM4 P08173 1/20 0.39
CCR4 P51679 1/20 0.39
HTR1A P08908 1/20 0.38

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
SCHEMBL4900964 0.86 PDPK1 (0.65) PDPK1
SCHEMBL4741535 0.80 PDPK1 (1.00) PDPK1
SCHEMBL4896046 0.79 PDPK1 (0.74) PDPK1
SCHEMBL4890525 0.73 PDPK1 (0.80) PDPK1
SCHEMBL4786413 0.69 ENPP1 (0.44) CCR4
SCHEMBL4744807 0.67 PDPK1 (0.73) PDPK1
SCHEMBL4745211 0.66 PDPK1 (0.71) PDPK1
SCHEMBL4744942 0.66 PDPK1 (0.71) PDPK1
SCHEMBL4741662 0.65 PDPK1 (0.73) PDPK1
SCHEMBL4887785 0.65 PDPK1 (0.98) 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 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 1/4885HRH3 949/4885KCNH2 956/4885

“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.