SCHEMBL4594699

SCHEMBL4594699

COc1ccccc1CNc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.56
PGR P06401 1/20 0.56
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR2A P28223 1/20 0.50
IDH1 O75874 3/20 0.48
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL4604964 0.85 SLC22A12 (0.54) ARPGRIDH1GAAMAPT
SCHEMBL13777368 0.84 AR (0.56) ARIDH1MAPT
SCHEMBL4206295 0.77 AR (0.67) ARPGR
SCHEMBL20096650 0.76 AR (0.51) ARPGR
SCHEMBL3289311 0.75 AR (0.52) ARPGRIDH1
SCHEMBL2948177 0.74 KCNK3 (0.58) ARPGRKMT2AMAPK1
SCHEMBL3057215 0.74 AR (0.55) ARIDH1
SCHEMBL3061123 0.72 SLC22A12 (0.51) AR
SCHEMBL3413619 0.72 AR (0.59) ARPGRGAA
SCHEMBL18974782 0.72 SLC22A12 (0.53) ARIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
EP-1871379-A2 CYANOARYLAMINES Smithkline Beecham Corporation (US) 2008-01-02 EP disclosed
WO-2006113552-A2 CYANOARYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080194536-A1 Cyanoarylamines EDNRA, CYP19A1, HSD17B11 AR 84/4885PGR 64/4885MEN1 606/4885

“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.