SCHEMBL247885

SCHEMBL247885

Cc1nc2cc(F)cc(F)c2c(O)c1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.36
ERN1 O75460 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
TSHR P16473 1/20 0.31
VRK1 Q99986 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
STAT3 P40763 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
SCHEMBL247638 0.79 BCHE (0.34) HTR5ABCHEACHE
SCHEMBL8872778 0.76 ERN1 (0.34) ERN1BCHEACHEKDM4EIDO1
SCHEMBL28356097 0.73 ERN1 (0.36) HTR5AERN1PTGS1PTGS2VRK1
SCHEMBL21325823 0.73 BCHE (0.40) HTR5ABCHEACHETSHRALDH1A1
SCHEMBL28427406 0.73 PARP1 (0.33) HTR5AERN1KDM4EALDH1A1GAA
SCHEMBL30823293 0.72 BCHE (0.36) BCHEACHEGAA
SCHEMBL21179488 0.72 BCHE (0.36) BCHEACHEGAA
SCHEMBL2823356 0.71 PARP1 (0.36) HTR5AERN1KDM4EALDH1A1GAA
SCHEMBL2711300 0.71 BCHE (0.35) BCHEACHE
SCHEMBL2819742 0.70 KDM1A (0.33) HTR5AERN1VRK1KDM4EALDH1A1

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-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 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-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 HTR5A 3906/4885ERN1 3634/4885BCHE 1616/4885

“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.