SCHEMBL1902143

SCHEMBL1902143

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.36
PDE2A O00408 5/20 0.35
CHEK1 O14757 2/20 0.35
AKT1 P31749 5/20 0.34
AURKA O14965 3/20 0.33
MAP2K1 Q02750 1/20 0.33
AKT2 P31751 1/20 0.33
SCN9A Q15858 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LCK P06239 1/20 0.32
TNK2 Q07912 1/20 0.32

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
SCHEMBL1903244 0.88 TACR3 (0.35) TACR3PDE2ACHEK1AKT1AURKA
SCHEMBL1906672 0.88 TACR3 (0.38) TACR3PDE2ACHEK1AKT1AURKA
SCHEMBL14118957 0.87 TACR3 (0.41) TACR3PDE2ACHEK1AKT1SCN9A
SCHEMBL1907564 0.87 TACR3 (0.37) TACR3PDE2ACHEK1AKT1SCN9A
SCHEMBL1905535 0.85 AURKA (0.41) TACR3PDE2ACHEK1AKT1AURKA
SCHEMBL1900984 0.84 AKT1 (0.40) TACR3PDE2AAKT1AKT2SCN9A
SCHEMBL1903041 0.84 AKT1 (0.38) TACR3PDE2AAKT1SCN9A
SCHEMBL1904589 0.84 SCN9A (0.37) TACR3PDE2AAKT1SCN9A
SCHEMBL14118904 0.84 TACR3 (0.37) TACR3PDE2ACHEK1AKT1AURKA
SCHEMBL1903118 0.84 TACR3 (0.35) TACR3PDE2ACHEK1AKT1SCN9A

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 TACR3 3761/4885PDE2A 2363/4885CHEK1 168/4885

“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.