SCHEMBL2714026

SCHEMBL2714026

COc1cc2nc(O)c(C)c(O)c2cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.41
GSK3B P49841 1/20 0.41
MAP4K2 Q12851 1/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4D Q08499 1/20 0.38
EGFR P00533 2/20 0.37
KDR P35968 2/20 0.37
RET P07949 2/20 0.36
KIF5B P33176 1/20 0.36
HTT P42858 1/20 0.36
NQO2 P16083 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
SRC P12931 2/20 0.35
RIPK2 O43353 1/20 0.35
NOD1 Q9Y239 1/20 0.35

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
SCHEMBL29091609 0.78 PGK1 (0.46) PGK1GSK3BMAP4K2PDE3BPDE3A
SCHEMBL30615158 0.78 PGK1 (0.46) PGK1GSK3BMAP4K2PDE3BPDE3A
SCHEMBL24010660 0.76 PDE10A (0.39) PGK1GSK3BMAP4K2PDE3AEGFR
SCHEMBL2125475 0.74 PIK3CA (0.44) PGK1GSK3BMAP4K2PDE3BPDE3A
SCHEMBL2712806 0.74 PGK1 (0.47) PGK1GSK3BMAP4K2PDE3BPDE3A
SCHEMBL2124408 0.71 PDE4A (0.40) PDE3BPDE3APDE4APDE4DNQO2
SCHEMBL27248741 0.71 PGK1 (0.46) PGK1GSK3BMAP4K2PDE3BPDE3A
SCHEMBL10958235 0.70 SMN1; SMN2 (0.47) PGK1GSK3BMAP4K2PDE3BPDE3A
SCHEMBL30615149 0.70 SMN1; SMN2 (0.47) PGK1GSK3BMAP4K2PDE3BPDE3A
SCHEMBL11514653 0.70 PGK1 (0.47) PGK1GSK3BMAP4K2PDE3AEGFR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
EP-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 EP disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
WO-2010151791-A1 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 (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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PGK1 2165/4885GSK3B 512/4885MAP4K2 715/4885

“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.