SCHEMBL14005392

SCHEMBL14005392

CC(C)(C)c1cncc(OC[C@@H](N)CNc2ccc(N)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
AKT1 P31749 10/20 0.37
SYK P43405 2/20 0.33
CHUK O15111 1/20 0.33
ROCK2 O75116 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AKT2 P31751 1/20 0.33
CSNK1D P48730 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
PRKCD Q05655 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDC42BPA Q5VT25 1/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL14005318 0.89 AKT1 (0.47) MAPTGAAAKT1SYKCHUK
SCHEMBL14005323 0.84 AKT1 (0.41) MAPTGAAAKT1
SCHEMBL14005335 0.83 AKT1 (0.41) MAPTGAAAKT1POLB
SCHEMBL14005324 0.83 CYP2D6 (0.37) AKT1CHUKROCK2PIM1PRKACA
SCHEMBL14030046 0.82 AKT1 (0.40) AKT1SYKCHUKROCK2PIM1
SCHEMBL14005235 0.82 AKT1 (0.40) AKT1SYKROCK2PIM1PRKACA
SCHEMBL14005208 0.82 AKT1 (0.46) AKT1CHUKROCK2PIM1PRKACA
SCHEMBL14005322 0.78 AKT1 (0.40) GAAAKT1ROCK2PIM1RPS6KB1
SCHEMBL14005393 0.78 AKT1 (0.35) AKT1SYKCHUKROCK2PIM1
SCHEMBL14004847 0.77 AKT1 (0.42) AKT1CHUKROCK2PIM1PRKACA

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 MAPT 4382/4885GAA 688/4885AKT1 157/4885

“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.