SCHEMBL2328898

SCHEMBL2328898

COc1ccc(-c2nnc(NCCO)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
PTGES O14684 3/20 0.45
KDM4E B2RXH2 4/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 2/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GBA1 P04062 1/20 0.44
SCN9A Q15858 1/20 0.44
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
JAK1 P23458 1/20 0.42
SHMT2 P34897 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL2326509 0.91 PTGDR (0.45) ALDH1A1PTGESKDM4EHPGDTP53
SCHEMBL31582428 0.80 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDRAB9AHSD17B10
SCHEMBL2323024 0.80 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDRAB9AHSD17B10
SCHEMBL2321167 0.79 SCN9A (0.50) TP53SCN9AMAPT
SCHEMBL11744410 0.75 PTGES (0.43) ALDH1A1PTGESKDM4ETP53LMNA
SCHEMBL2322159 0.75 SCN9A (0.46) ALDH1A1KDM4EHPGDTP53RAB9A
SCHEMBL2320673 0.72 SMN1; SMN2 (0.57) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL2324095 0.72 MAPT (0.41) ALDH1A1PTGESKDM4EHPGDTP53
SCHEMBL10359051 0.72 ALDH1A1 (0.89) ALDH1A1HPGDGBA1GAASHMT2
SCHEMBL2324314 0.72 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDRAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (7 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 ALDH1A1 784/4885PTGES 189/4885KDM4E 3814/4885
US-20190047978-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ALDH1A1 784/4885PTGES 189/4885KDM4E 3814/4885
US-10988455-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 ALDH1A1 784/4885PTGES 189/4885KDM4E 3814/4885
US-20160175314-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ALDH1A1 794/4885PTGES 174/4885KDM4E 3851/4885
US-10112923-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 ALDH1A1 763/4885PTGES 192/4885KDM4E 3847/4885
US-20170291888-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES PTGER1, LTB4R2, LTB4R ALDH1A1 1211/4885PTGES 88/4885KDM4E 3792/4885
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ALDH1A1 784/4885PTGES 189/4885KDM4E 3814/4885

“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.