SCHEMBL1905535

SCHEMBL1905535

O=C(O)NC1(c2ccc(-c3oc4ncc(NCCO)nc4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.41
CHEK1 O14757 3/20 0.41
MAP2K1 Q02750 1/20 0.41
MAP4K4 O95819 1/20 0.37
TYK2 P29597 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
SRPK1 Q96SB4 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
EGFR P00533 2/20 0.34
PDE2A O00408 4/20 0.34
TACR3 P29371 1/20 0.34
AKT1 P31749 2/20 0.33
TNK2 Q07912 2/20 0.33
AKT2 P31751 1/20 0.33
LCK P06239 1/20 0.33
ALOX5AP P20292 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
SCHEMBL1905611 0.89 AKT1 (0.40) AURKACHEK1MAP2K1MAP4K4TYK2
SCHEMBL1902143 0.85 TACR3 (0.36) AURKACHEK1MAP2K1PDE2ATACR3
SCHEMBL1900525 0.85 AKT1 (0.44) AURKACHEK1MAP2K1MAP4K4TYK2
SCHEMBL1906672 0.85 TACR3 (0.38) AURKACHEK1KDM4EALDH1A1PDE2A
SCHEMBL14118957 0.84 TACR3 (0.41) CHEK1PDE2ATACR3AKT1
SCHEMBL1907564 0.83 TACR3 (0.37) CHEK1PDE2ATACR3AKT1
SCHEMBL14119196 0.82 AURKA (0.41) AURKACHEK1MAP2K1MAP4K4TYK2
SCHEMBL1903041 0.81 AKT1 (0.38) PDE2ATACR3AKT1
SCHEMBL1904589 0.81 SCN9A (0.37) PDE2ATACR3AKT1
SCHEMBL1900984 0.81 AKT1 (0.40) EGFRPDE2ATACR3AKT1AKT2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 AURKA 527/4885CHEK1 168/4885MAP2K1 459/4885

“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.