SCHEMBL14005271

SCHEMBL14005271

CC(C)(C)c1cncc(OC[C@H](N)Cc2ccc(F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.48
RPS6KB1 P23443 4/20 0.48
PDPK1 O15530 2/20 0.48
ROCK2 O75116 2/20 0.46
PIM1 P11309 2/20 0.46
AKT2 P31751 2/20 0.46
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
PRKCD Q05655 2/20 0.46
ROCK1 Q13464 2/20 0.46
DYRK1A Q13627 2/20 0.46
CHUK O15111 1/20 0.46
PRKACA P17612 1/20 0.46
CSNK1D P48730 1/20 0.46
CDC42BPA Q5VT25 1/20 0.46
RPS6KA3 P51812 1/20 0.44
LIMK1 P53667 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
AKT3 Q9Y243 1/20 0.44

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
SCHEMBL14004831 1.00 AKT1 (0.48) AKT1RPS6KB1PDPK1ROCK2PIM1
SCHEMBL14005208 0.89 AKT1 (0.46) AKT1RPS6KB1ROCK2PIM1AKT2
SCHEMBL14005282 0.88 AKT1 (0.47) AKT1RPS6KB1ROCK2PIM1AKT2
SCHEMBL14004889 0.88 AKT1 (0.59) AKT1RPS6KB1ROCK2PIM1AKT2
SCHEMBL14004834 0.88 AKT1 (0.59) AKT1RPS6KB1ROCK2PIM1AKT2
SCHEMBL14005330 0.83 CASR (0.47) AKT1RPS6KB1PDPK1ROCK2PIM1
SCHEMBL14005268 0.83 AKT1 (0.56) AKT1RPS6KB1PDPK1ROCK2PIM1
SCHEMBL14004896 0.83 AKT1 (0.52) AKT1RPS6KB1ROCK2PIM1AKT2
SCHEMBL14030170 0.82 AKT1 (0.50) AKT1RPS6KB1PDPK1ROCK2PIM1
SCHEMBL14005202 0.81 AKT1 (0.61) AKT1RPS6KB1PDPK1ROCK2PIM1

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
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 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.