SCHEMBL2321435

SCHEMBL2321435

COc1ccc(Oc2nnc(N)nc2-c2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.80
▸ ADORA1 P30542 7/20 0.59
▸ TP53 P04637 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CSNK1A1 P48729 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ ADORA2B P29275 1/20 0.46

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
SCHEMBL2326463 0.89 ADORA2A (1.00) ADORA2AADORA1ALDH1A1LMNANPSR1
SCHEMBL2328597 0.88 ADORA2A (0.80) ADORA2AADORA1ALDH1A1LMNANPSR1
SCHEMBL2320505 0.85 ADORA2A (0.80) ADORA2AADORA1ALDH1A1LMNANPSR1
SCHEMBL2322526 0.85 ADORA2A (0.80) ADORA2AADORA1ALDH1A1LMNANPSR1
SCHEMBL2322022 0.84 ADORA2A (0.64) ADORA2AADORA1SMN1; SMN2NPC1RAB9A
SCHEMBL2323054 0.84 ADORA2A (0.64) ADORA2AADORA1ALDH1A1KMT2AMAPT
SCHEMBL2322175 0.82 ADORA2A (0.74) ADORA2AADORA1LMNAKDM4ESMN1; SMN2
SCHEMBL2326401 0.81 ADORA2A (0.73) ADORA2AADORA1ALDH1A1LMNANPSR1
SCHEMBL2324134 0.80 ADORA2A (0.71) ADORA2AADORA1ALDH1A1LMNAKMT2A
SCHEMBL2322807 0.78 ADORA2A (0.73) ADORA2AADORA1CSNK1A1CLK4ADORA2B

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 15 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
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
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 3/4885TP53 3389/4885
US-20190047978-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885TP53 3389/4885
US-10988455-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885TP53 3389/4885
US-20160175314-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885TP53 3334/4885
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885TP53 3540/4885
US-10112923-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885TP53 3448/4885
US-12054472-B2 1,2,4-triazine-4-amine derivatives ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885TP53 3971/4885
US-20170291888-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES PTGER1, LTB4R2, LTB4R ADORA2A 29/4885ADORA1 19/4885TP53 3254/4885
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885TP53 3389/4885

“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.

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