SCHEMBL4604964

SCHEMBL4604964

N#Cc1ccc(NCc2ccccc2C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.54
IDH1 O75874 1/20 0.54
AR P10275 8/20 0.50
TAS2R14 Q9NYV8 1/20 0.49
UTS2R Q9UKP6 1/20 0.46
PRKCQ Q04759 2/20 0.46
PRKCD Q05655 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PGR P06401 1/20 0.44

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
SCHEMBL13777368 0.88 AR (0.56) SLC22A12IDH1ARTAS2R14ABCG2
SCHEMBL4594699 0.85 AR (0.56) IDH1ARGAAMAPTPGR
SCHEMBL6692058 0.80 UTS2R (0.51) UTS2RGAAMAPT
SCHEMBL6695679 0.79 UTS2R (0.51) UTS2RPRKCQPRKCDGAAMAPT
SCHEMBL14685064 0.78 SLC22A12 (0.50) SLC22A12IDH1ARTAS2R14
SCHEMBL3289311 0.78 AR (0.52) SLC22A12IDH1ARTAS2R14PGR
SCHEMBL3059987 0.78 SLC22A12 (0.50) SLC22A12IDH1ARTAS2R14
SCHEMBL18974782 0.78 SLC22A12 (0.53) SLC22A12IDH1ARTAS2R14
SCHEMBL3288072 0.78 SLC22A12 (0.50) SLC22A12IDH1ARTAS2R14
SCHEMBL3413737 0.78 TAS2R14 (0.52) SLC22A12ARTAS2R14ABCG2MAPT

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 SLC22A12 1221/4885IDH1 28/4885AR 84/4885

“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.