SCHEMBL18578676

SCHEMBL18578676

Nc1nc(N2CC[C@@H](N)C2)nnc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 10/20 0.41
▸ ADRA1D P25100 2/20 0.40
▸ ADRA1B P35368 2/20 0.40
▸ HTR3A P46098 2/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ PTPN11 Q06124 2/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ HTR3E A5X5Y0 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36

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
SCHEMBL18578679 1.00 HRH4 (0.41) HRH4ADRA1DADRA1BHTR3AADRA1A
SCHEMBL16826641 0.86 PTPN11 (0.39) HRH4ADRA1DADRA1BADRA1APTPN11
SCHEMBL16826946 0.83 KMT2A (0.36) PTPN11KMT2A
SCHEMBL20780347 0.83 KMT2A (0.36) PTPN11KMT2A
SCHEMBL16826943 0.83 KMT2A (0.36) PTPN11KMT2A
SCHEMBL16827050 0.75 BTK (0.44) HRH4ADRA1DADRA1BADRA1AAKT1
SCHEMBL16826784 0.75 SCN9A (0.35) PTPN11KMT2A
SCHEMBL16854535 0.71 SCN9A (0.36) KMT2A
SCHEMBL16854558 0.71 SCN9A (0.55) PTPN11KMT2A
SCHEMBL16826655 0.69 EIF2AK4 (0.40) KMT2A

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 4 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

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 HRH4 2483/4885ADRA1D 459/4885ADRA1B 903/4885
US-20190071454-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE KCNJ2, TRPC5, RYR2 HRH4 2483/4885ADRA1D 459/4885ADRA1B 903/4885
US-20170066782-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE KCNJ2, TRPC5, RYR2 HRH4 2483/4885ADRA1D 459/4885ADRA1B 903/4885
US-10189859-B2 Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine KCNJ2, TRPC5, RYR2 HRH4 2483/4885ADRA1D 459/4885ADRA1B 903/4885

“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.

Send feedback