SCHEMBL2506906

SCHEMBL2506906

CC(N)c1nc2ncccc2n1-c1cc(F)cc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
PIK3CD O00329 3/20 0.36
PIK3R1 P27986 3/20 0.36
PIK3CB P42338 3/20 0.36
PIK3CG P48736 3/20 0.36
ADORA3 P0DMS8 2/20 0.36
S1PR1 P21453 1/20 0.33
BACE1 P56817 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
KMT2A Q03164 2/20 0.31
PIK3CA P42336 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL12196782 0.89 PDE4B (0.35) PDE4BPDE4DPIK3CDPIK3R1PIK3CB
SCHEMBL11900674 0.83 ADORA3 (0.40) PDE4BPDE4DPIK3CDPIK3R1ADORA3
SCHEMBL27947330 0.83 ADORA3 (0.40) PDE4BPDE4DPIK3CDPIK3R1ADORA3
SCHEMBL2502528 0.80 L3MBTL1 (0.42) PDE4BPDE4DPIK3CDPIK3R1PIK3CB
SCHEMBL2508259 0.79 PDE4B (0.51) PDE4BPDE4DPIK3CDKMT2A
SCHEMBL13506512 0.79 PDE4B (0.51) PDE4BPDE4DPIK3CDKMT2A
SCHEMBL2507258 0.77 IRAK4 (0.37) PIK3CDPIK3R1PIK3CBPIK3CGADORA3
SCHEMBL2506604 0.75 PDE4B (0.35) PDE4BPDE4DPIK3CDPIK3R1PIK3CB
SCHEMBL2509587 0.74 PIK3CD (0.71) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL2508010 0.74 PIK3CD (0.71) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA

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-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
EP-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 EP disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US 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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PDE4B 2387/4885PDE4D 1763/4885PIK3CD 16/4885

“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.