SCHEMBL3776929

SCHEMBL3776929

CC(NC(=O)OC(C)(C)C)c1nc2cccc(C#N)c2cc1-c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.39
PIK3CG P48736 9/20 0.39
PIK3CA P42336 8/20 0.39
PIK3CB P42338 6/20 0.39
PTPN1 P18031 1/20 0.39
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
CTSB P07858 1/20 0.37
PIK3R2 O00459 2/20 0.37
TRPA1 O75762 1/20 0.37
NSD2 O96028 1/20 0.37
KMT2A Q03164 2/20 0.37
JAK2 O60674 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3788887 0.88 PIK3CD (0.42) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL3775682 0.86 SCN9A (0.40) KMT2AJAK2KDM4EALDH1A1MEN1
SCHEMBL20061355 0.86 SCN9A (0.40) KMT2AJAK2KDM4EALDH1A1MEN1
SCHEMBL2730021 0.79 PIK3CD (0.37) PIK3CDPIK3CGTRPA1KMT2AJAK2
SCHEMBL20061338 0.78 PIK3CD (0.52) PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL3772446 0.78 PIK3CD (0.52) PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL2718253 0.77 PIK3CD (0.41) PIK3CDPIK3CGPIK3CAPIK3CBKMT2A
SCHEMBL2730015 0.77 BRD4 (0.37) PIK3CDKMT2AKDM4EALDH1A1
SCHEMBL1992065 0.77 KDM4E (0.39) PIK3CDPIK3CGPIK3CAPIK3CBKMT2A
SCHEMBL8475288 0.76 PIK3CD (0.52) PIK3CDPIK3CGPIK3CAPIK3CBKMT2A

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 12 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
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 15/4885PIK3CG 53/4885PIK3CA 25/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885PIK3CG 54/4885PIK3CA 26/4885

“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.