SCHEMBL2125274

SCHEMBL2125274

COc1cccc(-c2nc3cc(F)ccc3c(Cl)c2C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.47
PDE2A O00408 4/20 0.37
PDE10A Q9Y233 4/20 0.37
PDE7A Q13946 1/20 0.37
CNR1 P21554 1/20 0.36
BTK Q06187 1/20 0.36
HSP90AA1 P07900 3/20 0.36
HSP90AB1 P08238 2/20 0.36
TRAP1 Q12931 1/20 0.36
AMY1A P0DUB6 1/20 0.36
TACR3 P29371 1/20 0.35
MPO P05164 1/20 0.34
ACHE P22303 1/20 0.34
PDE6D O43924 1/20 0.34
PDE6A P16499 1/20 0.34
PDE6G P18545 1/20 0.34
PDE6B P35913 1/20 0.34
PDE6C P51160 1/20 0.34
PDE6H Q13956 1/20 0.34
DHODH Q02127 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
SCHEMBL2710926 0.82 PIK3CA (0.37) PIK3CAPDE2APDE10APDE7ACNR1
SCHEMBL244071 0.79 KDM4E (0.50) PIK3CA
SCHEMBL2124652 0.78 PARP1 (0.36) PIK3CACNR1BTKTACR3DHODH
SCHEMBL2124596 0.73 PIK3CA (0.47) PIK3CAMPO
SCHEMBL2126572 0.73 DHODH (0.48) PIK3CAACHEDHODH
SCHEMBL2123245 0.72 PIK3CA (0.41) PIK3CAMPOACHEDHODH
SCHEMBL2123397 0.72 PIK3CA (0.42) PIK3CAMPOACHEDHODH
SCHEMBL2123766 0.71 MAPK14 (0.52) PIK3CAMPODHODH
SCHEMBL2124964 0.71 TDO2 (0.47) PIK3CAPDE2APDE10AMPOACHE
SCHEMBL2123581 0.71 MPO (0.45) PDE10AMPOACHEDHODH

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 28/4885PDE2A 3025/4885PDE10A 3392/4885

“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.