SCHEMBL1901644

SCHEMBL1901644

CSc1nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c2c(=O)n1CCF

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.35
TACR3 P29371 2/20 0.33
TNK2 Q07912 6/20 0.33
KLKB1 P03952 1/20 0.33
KLK1 P06870 1/20 0.33
CHEK1 O14757 1/20 0.33
SLC6A9 P48067 1/20 0.32
AURKA O14965 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LCK P06239 3/20 0.32
JAK2 O60674 1/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
ZAP70 P43403 1/20 0.32
JAK3 P52333 1/20 0.32
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1902104 0.91 TNK2 (0.35) PDE2ATACR3TNK2KLKB1KLK1
SCHEMBL14119075 0.91 AKT1 (0.40) PDE2ATNK2SLC6A9LCK
SCHEMBL1902285 0.91 ALDH1A1 (0.41) ALDH1A1HPGD
SCHEMBL14118606 0.90 PDE2A (0.38) PDE2ATNK2CHEK1SLC6A9AURKA
SCHEMBL1902450 0.88 ALDH1A1 (0.35) PDE2ATACR3TNK2CHEK1AURKA
SCHEMBL1903809 0.88 ALDH1A1 (0.38) PDE2ATACR3TNK2ALDH1A1LCK
SCHEMBL1905588 0.88 KDM4E (0.34) PDE2ATACR3TNK2KLKB1KLK1
SCHEMBL1903936 0.87 PDE2A (0.33) PDE2ATACR3TNK2KLKB1KLK1
SCHEMBL1905986 0.85 AURKA (0.39) PDE2ATACR3TNK2CHEK1AURKA
SCHEMBL14119069 0.83 AKT1 (0.41) PDE2ATNK2ALDH1A1LCKHPGD

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 PDE2A 2363/4885TACR3 3761/4885TNK2 33/4885

“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.