SCHEMBL2320022

SCHEMBL2320022

COc1ccccc1-c1nnc(N)nc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
LMNA P02545 2/20 0.63
ALDH1A1 P00352 2/20 0.63
GAA P10253 1/20 0.63
ADORA2A P29274 14/20 0.63
ADORA1 P30542 14/20 0.63
SMN1; SMN2 Q16637 1/20 0.58
ADORA2B P29275 2/20 0.54
CSNK1A1 P48729 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
DPP4 P27487 1/20 0.51

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
SCHEMBL2328134 0.84 ADORA1 (0.59) KDM4EALDH1A1ADORA2AADORA1ADORA2B
SCHEMBL7542561 0.83 ADORA2A (0.55) KDM4ELMNAALDH1A1GAAADORA2A
SCHEMBL27881848 0.81 ADORA2A (0.57) KDM4ELMNAALDH1A1GAAADORA2A
SCHEMBL27881822 0.80 ADORA2A (0.56) ADORA2AADORA1ADORA2BCSNK1A1CLK4
SCHEMBL27881814 0.80 ADORA2A (0.65) KDM4ELMNAALDH1A1GAAADORA2A
SCHEMBL27899092 0.79 ADORA2A (0.54) ADORA2AADORA1ADORA2BCSNK1A1CLK4
SCHEMBL30186658 0.78 ADORA2A (1.00) ADORA2AADORA1ADORA2BCSNK1A1CLK4
SCHEMBL2324215 0.78 ADORA2A (1.00) ADORA2AADORA1ADORA2BCSNK1A1CLK4
SCHEMBL27899286 0.77 ADORA2A (0.54) KDM4EALDH1A1GAAADORA2AADORA1
SCHEMBL2327082 0.77 ADORA2A (0.76) ALDH1A1ADORA2AADORA1ADORA2BCSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102822150-A 1,2, 4-triazin-4-amine derivatives HEPTARES THERAPEUTICS LTD 2012-12-12 CN claimed
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
CN-102822150-B 1,2, 4-triazin-4-amine derivatives HEPTARES THERAPEUTICS LTD 2014-12-03 CN 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
CN-102822150-A 1,2, 4-triazin-4-amine derivatives HEPTARES THERAPEUTICS LTD 2012-12-12 CN 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 KDM4E 3814/4885LMNA 1324/4885ALDH1A1 784/4885
US-20190047978-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 KDM4E 3814/4885LMNA 1324/4885ALDH1A1 784/4885
US-10988455-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 KDM4E 3814/4885LMNA 1324/4885ALDH1A1 784/4885
US-20160175314-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 KDM4E 3851/4885LMNA 1268/4885ALDH1A1 794/4885
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 KDM4E 4021/4885LMNA 1300/4885ALDH1A1 788/4885
US-10112923-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 KDM4E 3847/4885LMNA 1387/4885ALDH1A1 763/4885
US-12054472-B2 1,2,4-triazine-4-amine derivatives ADORA2A, ADORA2B, ADORA1 KDM4E 3861/4885LMNA 1724/4885ALDH1A1 251/4885
US-20170291888-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES PTGER1, LTB4R2, LTB4R KDM4E 3792/4885LMNA 1381/4885ALDH1A1 1211/4885
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 KDM4E 3814/4885LMNA 1324/4885ALDH1A1 784/4885

“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.