SCHEMBL3784282

SCHEMBL3784282

C[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2c(C(=O)NC2CC2)c1-c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.49
PIK3CA P42336 10/20 0.49
PIK3CB P42338 10/20 0.49
PIK3CG P48736 10/20 0.49
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 2/20 0.42
IDO1 P14902 2/20 0.40
PDE4B Q07343 3/20 0.40
CCR3 P51677 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3784280 1.00 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGCYP2D6
SCHEMBL3788051 0.89 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGCYP2D6
SCHEMBL8475319 0.89 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CGCYP2D6
SCHEMBL3786690 0.88 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CGCYP2D6
SCHEMBL2717170 0.88 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CGCYP2D6
SCHEMBL3785526 0.87 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGCYP2D6
SCHEMBL3785529 0.87 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGCYP2D6
SCHEMBL3777649 0.87 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGCYP2D6
SCHEMBL3777643 0.87 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGCYP2D6
SCHEMBL6122982 0.87 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGCYP2D6

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-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
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
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.