SCHEMBL4741576

SCHEMBL4741576

CCN1CCCC1CNc1cc2c(cnc3cc(OCCOC)c(OC)cc32)c(NCC2CCCN2CC)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 7/20 0.51
DRD2 P14416 1/20 0.45
KDR P35968 6/20 0.41
EPHA2 P29317 3/20 0.41
EPHB4 P54760 2/20 0.41
KMT5A Q9NQR1 2/20 0.41
SPIN1 Q9Y657 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
ERBB2 P04626 1/20 0.39

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
SCHEMBL3974946 0.72 DRD2 (0.49) DRD2ABCG2
SCHEMBL4741786 0.70 PDPK1 (0.56) PDPK1KDR
SCHEMBL4894801 0.69 PDPK1 (0.70) PDPK1
SCHEMBL4787895 0.69 PDPK1 (0.76) PDPK1KMT5ASPIN1
SCHEMBL4745595 0.69 PDPK1 (1.00) PDPK1
SCHEMBL4890843 0.65 PDPK1 (1.00) PDPK1KDRKMT5ASPIN1
SCHEMBL4899329 0.65 PDPK1 (0.76) PDPK1
SCHEMBL4745705 0.65 PDPK1 (0.54) PDPK1
SCHEMBL4744364 0.65 PDPK1 (0.54) PDPK1
SCHEMBL4888580 0.65 PDPK1 (0.84) 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 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 1/4885DRD2 1112/4885KDR 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.