SCHEMBL18578656

SCHEMBL18578656

O=C(OCc1ccccc1)N1CCN(C[C@@H](O)CCl)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 2/20 0.49
TSHR P16473 1/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
PGGT1B P53609 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL25484888 0.87 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1499013 0.87 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8973143 0.87 TSHR (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8973073 0.87 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL22433816 0.86 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1498835 0.84 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1267899 0.83 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8564857 0.82 L3MBTL1 (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL21023230 0.82 TSHR (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8559766 0.82 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 9 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-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-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-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

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 MEN1 1531/4885KMT2A 464/4885NPSR1 391/4885
US-20190071454-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE KCNJ2, TRPC5, RYR2 MEN1 1531/4885KMT2A 464/4885NPSR1 391/4885
US-20170066782-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE KCNJ2, TRPC5, RYR2 MEN1 1531/4885KMT2A 464/4885NPSR1 391/4885
US-10189859-B2 Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine KCNJ2, TRPC5, RYR2 MEN1 1531/4885KMT2A 464/4885NPSR1 391/4885

“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.