SCHEMBL17320459

SCHEMBL17320459

CN(C)c1cc(COC=O)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
IDO1 P14902 2/20 0.41
TACR1 P25103 14/20 0.36
SLC6A4 P31645 2/20 0.33
NR2E1 Q9Y466 1/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32

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
SCHEMBL145681 0.84 IDO1 (0.57) MGLLIDO1TACR1CACNA1FCACNA1D
SCHEMBL542721 0.76 IDO1 (0.44) MGLLMRGPRX4IDO1TACR1SLC6A4
SCHEMBL14117328 0.75 SIGMAR1 (0.40) MRGPRX4IDO1TACR1
SCHEMBL3950720 0.74 MRGPRX4 (0.38) MRGPRX4IDO1TACR1
SCHEMBL3950360 0.74 RXRA (0.42) MRGPRX4IDO1TACR1
SCHEMBL7074326 0.74 IDO1 (0.40) MRGPRX4IDO1TACR1
SCHEMBL7694014 0.72 TACR1 (0.43) IDO1TACR1
SCHEMBL19269518 0.71 ALDH1A1 (0.44)
SCHEMBL7078874 0.71 TAAR1 (0.50) IDO1TACR1
SCHEMBL351100 0.71 IDO1 (0.62) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-9493455-B2 Azaindole derivatives as inhibitors of protein kinases ORIBASE PHARMA (FR) 2016-11-15 US disclosed
US-9403823-B2 Protein kinase inhibitors ORIBASE PHARMA (FR) 2016-08-02 US disclosed
US-20160009709-A1 PROTEIN KINASE INHIBITORS ORIBASE PHARMA (FR) 2016-01-14 US disclosed
US-20150353540-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ORIBASE PHARMA (FR) 2015-12-10 US disclosed
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2015-12-10 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 (3 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-20150353540-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES MAP3K5, MAP3K3, MAP3K20 MGLL 3855/4885MRGPRX4 2584/4885IDO1 342/4885
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS MAP2K2, MAP2K5, MAP2K3 MGLL 2727/4885MRGPRX4 2023/4885IDO1 194/4885
US-20160009709-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K2 MGLL 2752/4885MRGPRX4 2167/4885IDO1 788/4885

“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.