SCHEMBL2505253

SCHEMBL2505253

CNC(=O)c1cccc(-n2c(C(C)NC(C)=O)nc3ccc(F)cc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
PIK3CD O00329 7/20 0.45
PIK3R1 P27986 7/20 0.45
PIK3CG P48736 7/20 0.45
PIK3CB P42338 6/20 0.45
PIK3CA P42336 5/20 0.45
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACSS2 Q9NR19 2/20 0.40
MAPK14 Q16539 1/20 0.39
LMNA P02545 1/20 0.39
PTGER1 P34995 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
SCHEMBL2504398 0.89 PIK3CD (0.55) ALDH1A1PIK3CDPIK3R1PIK3CGPIK3CB
SCHEMBL2506959 0.87 PIK3CD (0.45) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL2553280 0.83 PIK3CD (0.41) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL2508086 0.82 PIK3CD (0.61) ALDH1A1PIK3CDPIK3R1PIK3CGPIK3CB
SCHEMBL2507590 0.82 PIK3CD (0.61) ALDH1A1PIK3CDPIK3R1PIK3CGPIK3CB
SCHEMBL2505925 0.82 PIK3CD (0.54) ALDH1A1PIK3CDPIK3R1PIK3CGPIK3CB
SCHEMBL2503603 0.82 PIK3CD (0.53) ALDH1A1PIK3CDPIK3R1PIK3CGPIK3CB
SCHEMBL2505468 0.81 PIK3CD (0.57) ALDH1A1PIK3CDPIK3R1PIK3CGPIK3CB
SCHEMBL11901179 0.81 PIK3CD (0.57) ALDH1A1PIK3CDPIK3R1PIK3CGPIK3CB
SCHEMBL12264216 0.81 PIK3CD (0.63) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA

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 ALDH1A1 3905/4885PIK3CD 16/4885PIK3R1 48/4885

“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.