SCHEMBL1905623

SCHEMBL1905623

O=C(O)NC1(c2ccc(-c3oc4ncncc4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.39
TACR3 P29371 2/20 0.38
AKT1 P31749 3/20 0.37
AURKA O14965 6/20 0.37
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
MERTK Q12866 1/20 0.36
TNK2 Q07912 3/20 0.36
MAP2K1 Q02750 1/20 0.35
EGFR P00533 1/20 0.35
SCN9A Q15858 1/20 0.34

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
SCHEMBL1904890 0.85 AKT1 (0.41) CHEK1TACR3AKT1MERTKTNK2
SCHEMBL14119148 0.85 TACR3 (0.39) CHEK1TACR3AKT1AURKAHDAC3
SCHEMBL1907508 0.84 AURKA (0.39) CHEK1AKT1AURKAHDAC3HDAC1
SCHEMBL14118769 0.84 TACR3 (0.39) CHEK1TACR3AKT1HDAC3HDAC1
SCHEMBL1905448 0.83 TACR3 (0.38) CHEK1TACR3AKT1AURKAHDAC3
SCHEMBL1902848 0.83 TACR3 (0.37) CHEK1TACR3AKT1AURKATNK2
SCHEMBL1902221 0.82 AKT1 (0.42) TACR3AKT1SCN9A
SCHEMBL1908151 0.82 TACR3 (0.37) CHEK1TACR3AKT1
SCHEMBL14118904 0.82 TACR3 (0.37) CHEK1TACR3AKT1AURKAMERTK
SCHEMBL14118927 0.81 TACR3 (0.37) TACR3AKT1HDAC3HDAC1HDAC2

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 CHEK1 168/4885TACR3 3761/4885AKT1 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.