SCHEMBL4785979

SCHEMBL4785979

COc1cc2ncc3c(NO)nc(-c4cncc(OC[C@@H](N)Cc5c[nH]c6ccccc56)c4)cc3c2cc1OC

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.81
RPS6KB1 P23443 12/20 0.81
PDPK1 O15530 11/20 0.81
PRKACA P17612 2/20 0.59
PRKACG P22612 2/20 0.59
PRKACB P22694 2/20 0.59
ROCK2 O75116 1/20 0.55
PIM1 P11309 1/20 0.55
AKT2 P31751 1/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
RPS6KA3 P51812 1/20 0.55
LIMK1 P53667 1/20 0.55
PRKCD Q05655 1/20 0.55
ROCK1 Q13464 1/20 0.55
DYRK1A Q13627 1/20 0.55
PRKD2 Q9BZL6 1/20 0.55
PIM2 Q9P1W9 1/20 0.55
AKT3 Q9Y243 1/20 0.55

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
SCHEMBL4896615 0.90 AKT1 (1.00) AKT1RPS6KB1PDPK1PRKACAPRKACG
SCHEMBL4786820 0.90 AKT1 (1.00) AKT1RPS6KB1PDPK1PRKACAPRKACG
SCHEMBL4741691 0.82 PDPK1 (0.81) AKT1RPS6KB1PDPK1PIM1AKT2
SCHEMBL4745072 0.80 AKT1 (0.80) AKT1RPS6KB1PDPK1PRKACAPRKACG
SCHEMBL4745246 0.76 PDPK1 (1.00) AKT1RPS6KB1PDPK1
SCHEMBL4742341 0.76 PDPK1 (1.00) AKT1RPS6KB1PDPK1
SCHEMBL4743582 0.76 PDPK1 (1.00) AKT1RPS6KB1PDPK1
SCHEMBL4744386 0.74 PDPK1 (0.81) AKT1RPS6KB1PDPK1
SCHEMBL4786701 0.74 PDPK1 (0.72) AKT1RPS6KB1PDPK1
SCHEMBL4787420 0.73 PDPK1 (0.86) AKT1RPS6KB1PDPK1

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 AKT1 157/4885RPS6KB1 250/4885PDPK1 1/4885

“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.