SCHEMBL1694669

SCHEMBL1694669

COC(=O)c1c(OC)c(C(C)Br)nc2ccc(F)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.50
PLA2G2A P14555 4/20 0.49
TACR3 P29371 1/20 0.43
GCGR P47871 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TNF P01375 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NR2F2 P24468 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
KLF5 Q13887 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOD1 Q9Y239 1/20 0.37

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
SCHEMBL1694789 0.88 DHODH (0.50) DHODHPLA2G2ATACR3GCGRGAA
SCHEMBL2717113 0.83 DHODH (0.58) DHODHPLA2G2ASMN1; SMN2
SCHEMBL14827192 0.82 DHODH (0.45) DHODHPLA2G2ATACR3GCGRGAA
SCHEMBL1695154 0.78 PLA2G2A (0.54) DHODHPLA2G2ATACR3KDM4E
SCHEMBL1694671 0.78 PLA2G2A (0.51) DHODHPLA2G2ATACR3ALDH1A1L3MBTL1
SCHEMBL1694915 0.77 PIK3CD (0.40) DHODHPLA2G2ATACR3GAAMEN1
SCHEMBL1694790 0.75 PLA2G2A (0.51) DHODHPLA2G2ATACR3KDM4E
SCHEMBL1695294 0.74 PIK3CD (0.70)
SCHEMBL2718515 0.74 DHODH (0.58) DHODHPLA2G2ASMN1; SMN2
SCHEMBL8890970 0.74 DHODH (0.65) DHODHPLA2G2A

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 6 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
US-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-04 US 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
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 2399/4885PLA2G2A 752/4885TACR3 4012/4885

“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.