SCHEMBL1907209

SCHEMBL1907209

COc1nccc2c(-c3ccccc3)c(-c3ccc(C4(NC(=O)O)CCC4)cc3)oc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.36
TACR3 P29371 2/20 0.36
AKT1 P31749 6/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
MTNR1A P48039 1/20 0.34
PDE2A O00408 1/20 0.34
AKT2 P31751 2/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
EGFR P00533 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
GBA1 P04062 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1907254 0.90 AKT1 (0.43) SCN9ATACR3AKT1ROCK2ROCK1
SCHEMBL1902234 0.87 MAPK1 (0.34) SCN9ATACR3AKT1ROCK2ROCK1
SCHEMBL1903295 0.86 EGFR (0.38) SCN9ATACR3AKT1ROCK2ROCK1
SCHEMBL1534539 0.84 AKT1 (0.42) SCN9ATACR3AKT1ROCK2ROCK1
SCHEMBL1534795 0.83 HTR1A (0.34) SCN9ATACR3AKT1PDE2AKDM4E
SCHEMBL1907735 0.83 AKT1 (0.36) SCN9ATACR3AKT1ROCK2ROCK1
SCHEMBL1902760 0.82 AKT1 (0.47) AKT1AKT2
SCHEMBL12273965 0.81 SCN9A (0.39) SCN9AAKT1ROCK2ROCK1EGFR
SCHEMBL1902780 0.81 KDR (0.37) SCN9ATACR3AKT1ROCK2ROCK1
SCHEMBL1907310 0.80 KDM4E (0.31) AKT1MTNR1AAKT2KDRTEK

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 SCN9A 4042/4885TACR3 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.