SCHEMBL2719785

SCHEMBL2719785

COc1c(-c2ccccc2)c(C(C)Br)nc2ccc(F)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.56
PIK3CA P42336 7/20 0.56
PIK3CB P42338 7/20 0.56
PIK3CG P48736 7/20 0.56
DHODH Q02127 3/20 0.47
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
PRNP P04156 2/20 0.40
TACR3 P29371 1/20 0.40
CYP3A4 P08684 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 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
SCHEMBL12974179 0.88 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGDHODH
SCHEMBL2717878 0.82 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGDHODH
SCHEMBL1694915 0.82 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGDHODH
SCHEMBL2717113 0.80 DHODH (0.58) PIK3CDPIK3CAPIK3CBPIK3CGDHODH
SCHEMBL2719338 0.80 DHODH (0.47) PIK3CDPIK3CAPIK3CBPIK3CGDHODH
SCHEMBL2718662 0.80 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGDHODH
SCHEMBL12974200 0.78 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGDHODH
SCHEMBL2721146 0.77 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGDHODH
SCHEMBL2720959 0.77 DHODH (0.49) PIK3CDPIK3CAPIK3CBPIK3CGDHODH
SCHEMBL2719034 0.77 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 US disclosed
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 US disclosed
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 US disclosed
EP-2445900-B1 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES AMGEN INC (US) 2016-03-02 EP disclosed
EP-2445900-B1 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES AMGEN INC (US) 2016-03-02 EP disclosed
EP-2445900-A2 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES Amgen, Inc (US) 2012-05-02 EP disclosed
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
WO-2010151740-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151740-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 (2 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-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 15/4885PIK3CA 25/4885PIK3CB 35/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885PIK3CA 26/4885PIK3CB 35/4885

“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.