SCHEMBL1695296

SCHEMBL1695296

COc1c(C=O)c(C(C)N2C(=O)c3ccccc3C2=O)nc2ccc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
TDO2 P48775 1/20 0.36
IDO2 Q6ZQW0 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LCK P06239 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
PLA2G2A P14555 3/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP3 P42574 2/20 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
SCHEMBL1695293 1.00 DHODH (0.39) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1695006 0.91 DHODH (0.38) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1694687 0.91 DHODH (0.38) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1695168 0.85 DHODH (0.40) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1695169 0.85 DHODH (0.40) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2718662 0.84 PIK3CD (0.49) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2729228 0.84 PIK3CD (0.45) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2721074 0.84 PIK3CD (0.45) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1695034 0.82 PIK3CD (0.38) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2721673 0.79 PIK3CD (0.43) DHODHPIK3CDPIK3CAPIK3CBPIK3CG

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
EP-2588467-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-04 US disclosed
WO-2012003274-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 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-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, BCL9 DHODH 2399/4885PIK3CD 1181/4885PIK3CA 1473/4885

“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.