SCHEMBL3776313

SCHEMBL3776313

CC(C)NC(=O)c1c(-c2ccccc2)c(C(C)NC(=O)OC(C)(C)C)nc2ccc(F)cc12

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.60
PIK3CB P42338 14/20 0.60
PIK3CG P48736 14/20 0.60
PIK3CA P42336 12/20 0.60
CYP3A4 P08684 4/20 0.60
DHODH Q02127 3/20 0.42
GAA P10253 1/20 0.42
LIPG Q9Y5X9 1/20 0.41

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
SCHEMBL3777865 0.94 PIK3CD (0.57) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL3784892 0.92 PIK3CD (0.51) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL2719205 0.92 PIK3CD (0.51) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL3778864 0.91 PIK3CD (0.60) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL3778863 0.91 PIK3CD (0.60) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL2719175 0.91 DHODH (0.51) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL13063146 0.87 PIK3CD (0.46) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL3778936 0.87 ACACB (0.51) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL3780273 0.87 PIK3CD (0.45) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL17530668 0.87 PIK3CD (0.45) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4

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 11 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-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
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

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 15/4885PIK3CB 35/4885PIK3CG 53/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885PIK3CB 35/4885PIK3CG 54/4885

“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.