SCHEMBL16854645

SCHEMBL16854645

CN(CCN(C)C(=O)OC(C)(C)C)C[C@H]1CO1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASGR1 P07306 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
GBA1 P04062 1/20 0.31
METAP2 P50579 1/20 0.31
CTSD P07339 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
PDK2 Q15119 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
SCHEMBL16854675 1.00 ASGR1 (0.34) ASGR1FPR3FPR2ALDH1A1ADRA1A
SCHEMBL1022362 0.85 ALDH1A1 (0.38) ASGR1FPR3FPR2ALDH1A1CTSD
SCHEMBL1022363 0.85 ALDH1A1 (0.38) ASGR1FPR3FPR2ALDH1A1CTSD
SCHEMBL4810634 0.80 ALDH1A1 (0.38) ASGR1FPR3FPR2ALDH1A1METAP2
SCHEMBL4810639 0.80 ALDH1A1 (0.38) ASGR1FPR3FPR2ALDH1A1METAP2
SCHEMBL4818666 0.80 ALDH1A1 (0.38) ASGR1FPR3FPR2ALDH1A1METAP2
SCHEMBL10260946 0.78 HDAC6 (0.40) ASGR1FPR3FPR2GBA1CTSD
SCHEMBL16318667 0.77 ALDH1A1 (0.39) ASGR1ALDH1A1CTSDCTSLCTSB
SCHEMBL15178422 0.77 ALDH1A1 (0.33) ALDH1A1ADRA1AADRA1B
SCHEMBL16854553 0.77 TDP1 (0.42)

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-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
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 ASGR1 4747/4885FPR3 728/4885FPR2 707/4885
US-20190071454-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE KCNJ2, TRPC5, RYR2 ASGR1 4747/4885FPR3 728/4885FPR2 707/4885
US-20170066782-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE KCNJ2, TRPC5, RYR2 ASGR1 4747/4885FPR3 728/4885FPR2 707/4885
US-10189859-B2 Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine KCNJ2, TRPC5, RYR2 ASGR1 4747/4885FPR3 728/4885FPR2 707/4885

“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.