SCHEMBL2326059

SCHEMBL2326059

Nc1nnc(N2CCC3CCCCC3C2)c(-c2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.67
ADORA1 P30542 14/20 0.67
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
HRH4 Q9H3N8 1/20 0.38
ADORA2B P29275 2/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 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
SCHEMBL2322348 0.80 ADORA2A (1.00) ADORA2AADORA1HTTNPSR1
SCHEMBL2324627 0.79 ADORA2A (0.72) ADORA2AADORA1HRH4
SCHEMBL2321189 0.79 ADORA2A (0.58) ADORA2AADORA1CSNK1A1CLK4ADORA2B
SCHEMBL2327929 0.79 ADORA2A (0.58) ADORA2AADORA1CSNK1A1CLK4ADORA2B
SCHEMBL2323881 0.78 ADORA2A (0.67) ADORA2AADORA1HTTNPSR1CSNK1A1
SCHEMBL2327876 0.78 ADORA2A (0.67) ADORA2AADORA1MAPK13MAPK12MAPK11
SCHEMBL2320382 0.77 ADORA2A (0.73) ADORA2AADORA1HTTNPSR1CSNK1A1
SCHEMBL2322947 0.77 ADORA2A (0.69) ADORA2AADORA1HTTCSNK1A1CLK4
SCHEMBL2320238 0.77 ADORA2A (0.69) ADORA2AADORA1HTT
SCHEMBL2323064 0.77 ADORA2A (0.69) ADORA2AADORA1HTTNPSR1CSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12054472-B2 1,2,4-triazine-4-amine derivatives NXERA PHARMA UK LIMITED (GB) 2024-08-06 US disclosed
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES NXERA PHARMA UK LIMITED (GB) 2023-01-19 US disclosed
US-10988455-B2 1,2,4-triazine-4-amine derivatives HEPTARES THERAPEUTICS LIMITED (GB) 2021-04-27 US disclosed
US-20190047978-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES NXERA PHARMA UK LIMITED (GB) 2019-02-14 US disclosed
US-10112923-B2 1,2,4-triazine-4-amine derivatives HEPTARES THERAPEUTICS LIMITED (GB) 2018-10-30 US disclosed
US-20170291888-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES NXERA PHARMA UK LIMITED (GB) 2017-10-12 US disclosed
US-20160175314-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LIMITED (GB) 2016-06-23 US disclosed
EP-2531492-B1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LTD (GB) 2016-04-13 EP disclosed
US-9249130-B2 1,2,4-triazine-4-amine derivatives HEPTARES THERAPEUTICS LIMITED (GB) 2016-02-02 US disclosed
US-20150005276-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES NXERA PHARMA UK LIMITED (GB) 2015-01-01 US disclosed
US-8809525-B2 1,2,4-triazine-4-amine derivatives HEPTARES THERAPEUTICS LIMITED (GB) 2014-08-19 US disclosed
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LIMITED (GB) 2013-01-31 US disclosed
EP-2531492-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES Heptares Therapeutics Limited (GB) 2012-12-12 EP disclosed
WO-2011095625-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LIMITED (GB) 2011-08-11 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 (9 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-20150005276-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885HTT 1094/4885
US-20190047978-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885HTT 1094/4885
US-10988455-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885HTT 1094/4885
US-20160175314-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885HTT 1145/4885
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885HTT 667/4885
US-10112923-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885HTT 1067/4885
US-12054472-B2 1,2,4-triazine-4-amine derivatives ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885HTT 1454/4885
US-20170291888-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES PTGER1, LTB4R2, LTB4R ADORA2A 29/4885ADORA1 19/4885HTT 1492/4885
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885HTT 1094/4885

“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.