SCHEMBL2326504

SCHEMBL2326504

CCN(CC)CCCNc1nnc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
POLB P06746 2/20 0.51
CACNA2D1 P54289 1/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TOP2A P11388 1/20 0.47
GPR84 Q9NQS5 2/20 0.47
TSHR P16473 1/20 0.46
SLC2A1 P11166 1/20 0.45
HPGD P15428 1/20 0.43
FGFR1 P11362 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL2325810 0.91 GPR84 (0.48) TP53POLBGAAKDM4EALDH1A1
SCHEMBL2328423 0.87 SLC2A1 (0.51) TP53POLBKDM4EALDH1A1LMNA
SCHEMBL2321152 0.84 GPR84 (0.55) POLBGAAKDM4EALDH1A1LMNA
SCHEMBL2324314 0.81 ALDH1A1 (0.56) POLBGAAKDM4EALDH1A1LMNA
SCHEMBL10807831 0.81 TP53 (0.43) TP53POLBCACNA2D1GAAKDM4E
SCHEMBL9616705 0.79 TOP2A (0.56) TP53POLBCACNA2D1GAAKDM4E
SCHEMBL2323024 0.78 ALDH1A1 (0.63) POLBGAAKDM4EALDH1A1LMNA
SCHEMBL31582428 0.78 ALDH1A1 (0.63) POLBGAAKDM4EALDH1A1LMNA
SCHEMBL2320332 0.78 SLC2A1 (0.42) TP53POLBLMNASMN1; SMN2SLC2A1
SCHEMBL2901858 0.74 GAA (0.63) TP53POLBCACNA2D1GAAKDM4E

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 TP53 3389/4885POLB 2788/4885CACNA2D1 3053/4885
US-20190047978-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 TP53 3389/4885POLB 2788/4885CACNA2D1 3053/4885
US-10988455-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 TP53 3389/4885POLB 2788/4885CACNA2D1 3053/4885
US-20160175314-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 TP53 3334/4885POLB 2854/4885CACNA2D1 3040/4885
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 TP53 3540/4885POLB 2837/4885CACNA2D1 3034/4885
US-10112923-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 TP53 3448/4885POLB 2902/4885CACNA2D1 3167/4885
US-12054472-B2 1,2,4-triazine-4-amine derivatives ADORA2A, ADORA2B, ADORA1 TP53 3971/4885POLB 3300/4885CACNA2D1 1782/4885
US-20170291888-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES PTGER1, LTB4R2, LTB4R TP53 3254/4885POLB 2839/4885CACNA2D1 3504/4885
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 TP53 3389/4885POLB 2788/4885CACNA2D1 3053/4885

“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.