SCHEMBL1906320

SCHEMBL1906320

NC(=O)c1cccc(-c2cnc3oc(-c4ccc(C5(NC(=O)O)CCC5)cc4)c(-c4ccccc4)c3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 5/20 0.41
AKT1 P31749 6/20 0.39
AKT2 P31751 3/20 0.39
LDHB P07195 2/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
TACR3 P29371 1/20 0.36
LDHA P00338 1/20 0.36
PDE2A O00408 1/20 0.35
IP6K1 Q92551 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
SCHEMBL14118957 0.90 TACR3 (0.41) AKT1TACR3PDE2A
SCHEMBL1903012 0.88 AKT1 (0.51) ATRAKT1AKT2
SCHEMBL1903041 0.87 AKT1 (0.38) AKT1TACR3PDE2A
SCHEMBL14118904 0.87 TACR3 (0.37) ATRAKT1TACR3PDE2A
SCHEMBL1900984 0.87 AKT1 (0.40) ATRAKT1AKT2KDRTACR3
SCHEMBL12095412 0.84 TACR3 (0.38) AKT1AKT2TACR3PDE2A
SCHEMBL1904772 0.84 ROCK2 (0.42) AKT1AKT2TACR3PDE2A
SCHEMBL1906672 0.84 TACR3 (0.38) AKT1TACR3PDE2A
SCHEMBL1907030 0.83 CHEK1 (0.36) AKT1AKT2TACR3PDE2A
SCHEMBL1907564 0.82 TACR3 (0.37) AKT1TACR3PDE2A

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 ATR 554/4885AKT1 1/4885AKT2 2/4885

“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.