SCHEMBL4741656

SCHEMBL4741656

COc1cc2ncc3c(N)nc(-c4ccc(N5CCNCC5)nc4)cc3c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 17/20 0.58
KDM4E B2RXH2 1/20 0.51
APAF1 O14727 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
UBE2N P61088 1/20 0.51
RPS6KB1 P23443 1/20 0.49
AKT1 P31749 1/20 0.49
PRKD3 O94806 1/20 0.49
EGFR P00533 1/20 0.49
PRKCG P05129 1/20 0.49
PRKCB P05771 1/20 0.49
LCK P06239 1/20 0.49
PRKCA P17252 1/20 0.49
PRKCH P24723 1/20 0.49
PRKCI P41743 1/20 0.49
ZAP70 P43403 1/20 0.49
PRKCE Q02156 1/20 0.49

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
SCHEMBL4741794 0.89 PDPK1 (0.58) PDPK1RPS6KB1AKT1ZAP70
SCHEMBL4744815 0.80 PDPK1 (0.71) PDPK1RPS6KB1AKT1
SCHEMBL4741662 0.79 PDPK1 (0.73) PDPK1RPS6KB1AKT1
SCHEMBL4744287 0.79 PDPK1 (0.70) PDPK1RPS6KB1AKT1
SCHEMBL4786135 0.78 PDPK1 (0.69) PDPK1RPS6KB1AKT1
SCHEMBL4745598 0.76 PDPK1 (0.75) PDPK1RPS6KB1AKT1
SCHEMBL4786089 0.75 PDPK1 (0.58) PDPK1RPS6KB1AKT1
SCHEMBL4784608 0.75 PDPK1 (0.67) PDPK1RPS6KB1AKT1
SCHEMBL4741697 0.74 PDPK1 (1.00) PDPK1RPS6KB1AKT1
SCHEMBL4741695 0.74 PDPK1 (0.65) 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 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 PDPK1 1/4885KDM4E 1909/4885APAF1 1984/4885

“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.