SCHEMBL12095367

SCHEMBL12095367

O=C(O)NC1(c2ccc(-c3oc4ncc(-c5cn[nH]c5)nc4c3-c3ccccc3)cc2)CCC1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 1/20 0.38
AKT2 P31751 9/20 0.35
AKT1 P31749 9/20 0.35
CLK2 P49760 3/20 0.33
HIPK1 Q86Z02 3/20 0.33
HIPK2 Q9H2X6 3/20 0.33
HIPK3 Q9H422 3/20 0.33
CLK4 Q9HAZ1 3/20 0.33
CLK1 P49759 2/20 0.33
MAPK1 P28482 1/20 0.33
PDE2A O00408 3/20 0.33
DYRK2 Q92630 1/20 0.33
TACR3 P29371 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
SCHEMBL1904772 0.94 ROCK2 (0.42) ROCK2ROCK1AKT2AKT1CLK2
SCHEMBL12095412 0.92 TACR3 (0.38) AKT2AKT1PDE2ATACR3
SCHEMBL14118751 0.89 TACR3 (0.34) AKT2AKT1PDE2ATACR3
SCHEMBL12095444 0.87 AKT1 (0.35) AKT2AKT1PDE2ATACR3
SCHEMBL14118537 0.86 PDE2A (0.34) AKT2AKT1PDE2ATACR3
SCHEMBL14118957 0.86 TACR3 (0.41) AKT1PDE2ATACR3
SCHEMBL14119220 0.85 AKT1 (0.34) AKT2AKT1CLK2HIPK1HIPK2
SCHEMBL14119305 0.85 AKT1 (0.40) ROCK2ROCK1AKT2AKT1CLK2
SCHEMBL14119065 0.85 HDAC1 (0.33) AKT2AKT1MAPK1PDE2ATACR3
SCHEMBL12095518 0.83 AKT1 (0.34) AKT2AKT1PDE2ATACR3

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 2 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

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 ROCK2 557/4885ROCK1 688/4885AKT2 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.