SCHEMBL16854634

SCHEMBL16854634

FC(F)(F)COC[C@@H]1CO1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
MAPK1 P28482 1/20 0.61
ALDH1A1 P00352 9/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 3/20 0.41
TP53 P04637 4/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
HIF1A Q16665 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32
GLA P06280 1/20 0.31

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
SCHEMBL2547812 1.00 TSHR (0.61) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL18290484 1.00 TSHR (0.61) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL1320955 0.86 TSHR (0.61) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL19862455 0.84 TSHR (0.59) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL22385137 0.82 TSHR (0.44) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL7640985 0.82 TSHR (0.42) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL85888 0.82 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL16517868 0.82 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL1463851 0.82 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL16808766 0.82 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844076-B2 Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine NEKTAR THERAPEUTICS (US) 2020-11-24 US disclosed
US-20190071454-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE NEKTAR THERAPEUTICS 2019-03-07 US disclosed
US-10189859-B2 Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine NEKTAR THERAPEUTICS (US) 2019-01-29 US disclosed
US-20170066782-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE NEKTAR THERAPEUTICS 2017-03-09 US disclosed
US-20170066782-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE NEKTAR THERAPEUTICS 2017-03-09 US disclosed
US-20170066782-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE NEKTAR THERAPEUTICS 2017-03-09 US disclosed
WO-2015092819-A2 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5- AMINE NEKTAR THERAPEUTICS (INDIA) PVT. LTD. (IN) 2015-06-25 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 (4 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-10844076-B2 Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine KCNJ2, TRPC5, RYR2 TSHR 508/4885MAPK1 1160/4885ALDH1A1 1704/4885
US-20190071454-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE KCNJ2, TRPC5, RYR2 TSHR 508/4885MAPK1 1160/4885ALDH1A1 1704/4885
US-20170066782-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE KCNJ2, TRPC5, RYR2 TSHR 508/4885MAPK1 1160/4885ALDH1A1 1704/4885
US-10189859-B2 Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine KCNJ2, TRPC5, RYR2 TSHR 508/4885MAPK1 1160/4885ALDH1A1 1704/4885

“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.